3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane

C100H210F10 — CID 163557932

About 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane

3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane (PubChem CID 163557932) has the molecular formula C100H210F10 and a molecular weight of 1602.76 g/mol. Its IUPAC name is 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane.

Molecular Properties

• Compound Name: 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane
• PubChem CID: 163557932
• Molecular Formula: C100H210F10
• Molecular Weight: 1602.76 g/mol
• Exact Mass: 1601.63
• IUPAC Name: 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane
• SMILES: CC(C)C(C)(F)C(C)C.CCC(C)(CC)C(C)(F)C(C)C.CCC(C)(F)C(C(C)C)C(C)C.CCC(C)(F)C(C)(CC)CC.CCC(CC)C(C)(F)C(C)C.CCC(CC)C(C)(F)CC.CCCC(C)(F)C(C(C)C)C(C)C.CCCC(C)(F)C(C)(CC)CC.CCCC(C)(F)C(CC)CC.CCCC(C)(F)CCC
• InChI: InChI=1S/C12H25F.3C11H23F.3C10H21F.C9H19F.2C8H17F/c1-7-8-12(6,13)11(9(2)3)10(4)5;1-7-10(5,8-2)11(6,12)9(3)4;1-7-11(6,12)10(8(2)3)9(4)5;1-6-9-11(5,12)10(4,7-2)8-3;1-6-9(4,7-2)10(5,11)8-3;1-6-9(7-2)10(5,11)8(3)4;1-5-8-10(4,11)9(6-2)7-3;1-5-8(6-2)9(4,10)7-3;1-6(2)8(5,9)7(3)4;1-4-6-8(3,9)7-5-2/h9-11H,7-8H2,1-6H3;9H,7-8H2,1-6H3;8-10H,7H2,1-6H3;6-9H2,1-5H3;6-8H2,1-5H3;8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;6-7H,1-5H3;4-7H2,1-3H3
• InChIKey: FORWSBIRLYPAHB-UHFFFAOYSA-N
• XLogP: 38.64
• TPSA: 0.00 Ų
• Rotatable Bonds: 41
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1602.76
LogP ≤ 5	38.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane?

The IUPAC name of 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane (CID 163557932) is 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane.

What is the SMILES notation for 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane?

The canonical SMILES for 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane is CC(C)C(C)(F)C(C)C.CCC(C)(CC)C(C)(F)C(C)C.CCC(C)(F)C(C(C)C)C(C)C.CCC(C)(F)C(C)(CC)CC.CCC(CC)C(C)(F)C(C)C.CCC(CC)C(C)(F)CC.CCCC(C)(F)C(C(C)C)C(C)C.CCCC(C)(F)C(C)(CC)CC.CCCC(C)(F)C(CC)CC.CCCC(C)(F)CCC.

What is the InChIKey of 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane?

The InChIKey is FORWSBIRLYPAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F.3C11H23F.3C10H21F.C9H19F.2C8H17F/c1-7-8-12(6,13)11(9(2)3)10(4)5;1-7-10(5,8-2)11(6,12)9(3)4;1-7-11(6,12)10(8(2)3)9(4)5;1-6-9-11(5,12)10(4,7-2)8-3;1-6-9(4,7-2)10(5,11)8-3;1-6-9(7-2)10(5,11)8(3)4;1-5-8-10(4,11)9(6-2)7-3;1-5-8(6-2)9(4,10)7-3;1-6(2)8(5,9)7(3)4;1-4-6-8(3,9)7-5-2/h9-11H,7-8H2,1-6H3;9H,7-8H2,1-6H3;8-10H,7H2,1-6H3;6-9H2,1-5H3;6-8H2,1-5H3;8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;6-7H,1-5H3;4-7H2,1-3H3.

What are the key properties of 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane?

3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane has a molecular weight of 1602.76 g/mol, XLogP of 38.64, 41 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane is sourced from PubChem (CID 163557932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).