1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene

C181H295F6N9O5 — CID 159086241

About 1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene

1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene (PubChem CID 159086241) has the molecular formula C181H295F6N9O5 and a molecular weight of 2791.40 g/mol. Its IUPAC name is 1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene.

Molecular Properties

• Compound Name: 1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene
• PubChem CID: 159086241
• Molecular Formula: C181H295F6N9O5
• Molecular Weight: 2791.40 g/mol
• Exact Mass: 2789.30
• IUPAC Name: 1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene
• SMILES: CC(C)(C)C(C)(C)c1ccccc1.CC(C)(C)C(F)(F)c1ccccn1.CC(C)(C)CCC(F)F.CC(C)(C)CCC(N)=O.CC(C)(C)CCF.CC(C)(C)Cc1ccc(F)cc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)[C@@H](O)c1ccccc1.CN(C)CCC(C)(C)C.CNC(C)(C)CC(C)(C)C.CO[C@@H](c1ccccc1)C(C)(C)C.CO[C@H](c1ccccc1)C(C)(C)C.COc1ccc(CC(C)(C)C)cc1.C[C@@H](c1ccccn1)C(C)(C)C.C[C@H](c1ccccn1)C(C)(C)C
• InChI: InChI=1S/C13H20.3C12H18O.C11H15F.2C11H17N.C11H16O.C11H16.C10H13F2N.3C10H15N.C9H21N.C8H19N.C7H14F2.C7H15NO.C6H13F/c1-12(2,3)13(4,5)11-9-7-6-8-10-11;1-12(2,3)9-10-5-7-11(13-4)8-6-10;2*1-12(2,3)11(13-4)10-8-6-5-7-9-10;1-11(2,3)8-9-4-6-10(12)7-5-9;2*1-9(11(2,3)4)10-7-5-6-8-12-10;1-11(2,3)10(12)9-7-5-4-6-8-9;1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)10(11,12)8-6-4-5-7-13-8;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8(2,3)7-9(4,5)10-6;1-8(2,3)6-7-9(4)5;2*1-7(2,3)5-4-6(8)9;1-6(2,3)4-5-7/h6-10H,1-5H3;5-8H,9H2,1-4H3;2*5-9,11H,1-4H3;4-7H,8H2,1-3H3;2*5-9H,1-4H3;4-8,10,12H,1-3H3;4-8H,9H2,1-3H3;4-7H,1-3H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;10H,7H2,1-6H3;6-7H2,1-5H3;6H,4-5H2,1-3H3;4-5H2,1-3H3,(H2,8,9);4-5H2,1-3H3/t;;2*11-;;2*9-;10-;;;;;;;;;;/m..10.100........../s1
• InChIKey: KBMBXWZYMWHUOX-VVPLVMLKSA-N
• XLogP: 52.46
• TPSA: 183.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 25
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2791.40
LogP ≤ 5	52.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene?

The IUPAC name of 1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene (CID 159086241) is 1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene.

What is the SMILES notation for 1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene?

The canonical SMILES for 1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene is CC(C)(C)C(C)(C)c1ccccc1.CC(C)(C)C(F)(F)c1ccccn1.CC(C)(C)CCC(F)F.CC(C)(C)CCC(N)=O.CC(C)(C)CCF.CC(C)(C)Cc1ccc(F)cc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)[C@@H](O)c1ccccc1.CN(C)CCC(C)(C)C.CNC(C)(C)CC(C)(C)C.CO[C@@H](c1ccccc1)C(C)(C)C.CO[C@H](c1ccccc1)C(C)(C)C.COc1ccc(CC(C)(C)C)cc1.C[C@@H](c1ccccn1)C(C)(C)C.C[C@H](c1ccccn1)C(C)(C)C.

What is the InChIKey of 1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene?

The InChIKey is KBMBXWZYMWHUOX-VVPLVMLKSA-N. The full InChI is InChI=1S/C13H20.3C12H18O.C11H15F.2C11H17N.C11H16O.C11H16.C10H13F2N.3C10H15N.C9H21N.C8H19N.C7H14F2.C7H15NO.C6H13F/c1-12(2,3)13(4,5)11-9-7-6-8-10-11;1-12(2,3)9-10-5-7-11(13-4)8-6-10;2*1-12(2,3)11(13-4)10-8-6-5-7-9-10;1-11(2,3)8-9-4-6-10(12)7-5-9;2*1-9(11(2,3)4)10-7-5-6-8-12-10;1-11(2,3)10(12)9-7-5-4-6-8-9;1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)10(11,12)8-6-4-5-7-13-8;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8(2,3)7-9(4,5)10-6;1-8(2,3)6-7-9(4)5;2*1-7(2,3)5-4-6(8)9;1-6(2,3)4-5-7/h6-10H,1-5H3;5-8H,9H2,1-4H3;2*5-9,11H,1-4H3;4-7H,8H2,1-3H3;2*5-9H,1-4H3;4-8,10,12H,1-3H3;4-8H,9H2,1-3H3;4-7H,1-3H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;10H,7H2,1-6H3;6-7H2,1-5H3;6H,4-5H2,1-3H3;4-5H2,1-3H3,(H2,8,9);4-5H2,1-3H3/t;;2*11-;;2*9-;10-;;;;;;;;;;/m..10.100........../s1.

What are the key properties of 1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene?

1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene has a molecular weight of 2791.40 g/mol, XLogP of 52.46, 25 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene is sourced from PubChem (CID 159086241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).