3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane

C124H255F11 — CID 165002178

About 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane

3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane (PubChem CID 165002178) has the molecular formula C124H255F11 and a molecular weight of 1955.38 g/mol. Its IUPAC name is 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane.

Molecular Properties

• Compound Name: 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane
• PubChem CID: 165002178
• Molecular Formula: C124H255F11
• Molecular Weight: 1955.38 g/mol
• Exact Mass: 1953.98
• IUPAC Name: 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane
• SMILES: CC(C)(C)C.CC(C)C(C(C)C)C(C)(F)C(C)(C(C)C)C(C)C.CC(C)C(C(C)C)C(C)(F)C(C)C.CC1(C)CCC(C)(F)CC1.CC1(F)CCCC1.CC1(F)CCCCC1.CCC(C)(CC)C(C)(F)C(C)(CC)CC.CCC(C)(CC)C(C)(F)C(C)C.CCC(C)C(C)(F)C(C)C.CCC(CC)C(C)(F)C(C)C.CCC(CC)C(C)(F)C(CC)CC.CCCC(C)(F)C(C(C)C)C(C)C
• InChI: InChI=1S/C17H35F.C14H29F.3C12H25F.C11H23F.C10H21F.C9H17F.C9H19F.C7H13F.C6H11F.C5H12/c1-11(2)15(12(3)4)17(10,18)16(9,13(5)6)14(7)8;1-8-12(5,9-2)14(7,15)13(6,10-3)11-4;1-8(2)11(9(3)4)12(7,13)10(5)6;1-7-8-12(6,13)11(9(2)3)10(4)5;1-6-10(7-2)12(5,13)11(8-3)9-4;1-7-10(5,8-2)11(6,12)9(3)4;1-6-9(7-2)10(5,11)8(3)4;1-8(2)4-6-9(3,10)7-5-8;1-6-8(4)9(5,10)7(2)3;1-7(8)5-3-2-4-6-7;1-6(7)4-2-3-5-6;1-5(2,3)4/h11-15H,1-10H3;8-11H2,1-7H3;8-11H,1-7H3;9-11H,7-8H2,1-6H3;10-11H,6-9H2,1-5H3;9H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3;4-7H2,1-3H3;7-8H,6H2,1-5H3;2-6H2,1H3;2-5H2,1H3;1-4H3
• InChIKey: IKMZVLIMUKMWOT-UHFFFAOYSA-N
• XLogP: 46.41
• TPSA: 0.00 Ų
• Rotatable Bonds: 38
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1955.38
LogP ≤ 5	46.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane?

The IUPAC name of 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane (CID 165002178) is 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane.

What is the SMILES notation for 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane?

The canonical SMILES for 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane is CC(C)(C)C.CC(C)C(C(C)C)C(C)(F)C(C)(C(C)C)C(C)C.CC(C)C(C(C)C)C(C)(F)C(C)C.CC1(C)CCC(C)(F)CC1.CC1(F)CCCC1.CC1(F)CCCCC1.CCC(C)(CC)C(C)(F)C(C)(CC)CC.CCC(C)(CC)C(C)(F)C(C)C.CCC(C)C(C)(F)C(C)C.CCC(CC)C(C)(F)C(C)C.CCC(CC)C(C)(F)C(CC)CC.CCCC(C)(F)C(C(C)C)C(C)C.

What is the InChIKey of 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane?

The InChIKey is IKMZVLIMUKMWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35F.C14H29F.3C12H25F.C11H23F.C10H21F.C9H17F.C9H19F.C7H13F.C6H11F.C5H12/c1-11(2)15(12(3)4)17(10,18)16(9,13(5)6)14(7)8;1-8-12(5,9-2)14(7,15)13(6,10-3)11-4;1-8(2)11(9(3)4)12(7,13)10(5)6;1-7-8-12(6,13)11(9(2)3)10(4)5;1-6-10(7-2)12(5,13)11(8-3)9-4;1-7-10(5,8-2)11(6,12)9(3)4;1-6-9(7-2)10(5,11)8(3)4;1-8(2)4-6-9(3,10)7-5-8;1-6-8(4)9(5,10)7(2)3;1-7(8)5-3-2-4-6-7;1-6(7)4-2-3-5-6;1-5(2,3)4/h11-15H,1-10H3;8-11H2,1-7H3;8-11H,1-7H3;9-11H,7-8H2,1-6H3;10-11H,6-9H2,1-5H3;9H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3;4-7H2,1-3H3;7-8H,6H2,1-5H3;2-6H2,1H3;2-5H2,1H3;1-4H3.

What are the key properties of 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane?

3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane has a molecular weight of 1955.38 g/mol, XLogP of 46.41, 38 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,3,4,6-tetramethyl-3,5-di(propan-2-yl)heptane;1-fluoro-1,4,4-trimethylcyclohexane;3-fluoro-2,3,4-trimethylhexane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane is sourced from PubChem (CID 165002178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).