1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane

C42H76F8 — CID 157371927

IUPAC1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane
SMILESCC1(F)CCCCC1.CC1CCC(F)CC1.CC1CCCC(F)(F)C1.CC1CCCC(F)C1.CC1CCCCC1(F)F.CC1CCCCC1F
InChIInChI=1S/2C7H12F2.4C7H13F/c1-6-3-2-4-7(8,9)5-6;1-6-4-2-3-5-7(6,8)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-7(8)5-3-2-4-6-7;1-6-4-2-3-5-7(6)8/h2*6H,2-5H2,1H3;2*6-7H,2-5H2,1H3;2-6H2,1H3;6-7H,2-5H2,1H3
InChIKeyBJWGMMCEQLQPQS-UHFFFAOYSA-N
MW733.05 g/mol
LogP15.95
Rot. Bonds

About 1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane

1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane (PubChem CID 157371927) has the molecular formula C42H76F8 and a molecular weight of 733.05 g/mol. Its IUPAC name is 1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane.

Molecular Properties

Compound Name1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane
PubChem CID157371927
Molecular FormulaC42H76F8
Molecular Weight733.05 g/mol
Exact Mass732.58
IUPAC Name1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane
SMILESCC1(F)CCCCC1.CC1CCC(F)CC1.CC1CCCC(F)(F)C1.CC1CCCC(F)C1.CC1CCCCC1(F)F.CC1CCCCC1F
InChIInChI=1S/2C7H12F2.4C7H13F/c1-6-3-2-4-7(8,9)5-6;1-6-4-2-3-5-7(6,8)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-7(8)5-3-2-4-6-7;1-6-4-2-3-5-7(6)8/h2*6H,2-5H2,1H3;2*6-7H,2-5H2,1H3;2-6H2,1H3;6-7H,2-5H2,1H3
InChIKeyBJWGMMCEQLQPQS-UHFFFAOYSA-N
XLogP15.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.05
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane?
The IUPAC name of 1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane (CID 157371927) is 1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane.
What is the SMILES notation for 1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane?
The canonical SMILES for 1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane is CC1(F)CCCCC1.CC1CCC(F)CC1.CC1CCCC(F)(F)C1.CC1CCCC(F)C1.CC1CCCCC1(F)F.CC1CCCCC1F.
What is the InChIKey of 1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane?
The InChIKey is BJWGMMCEQLQPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12F2.4C7H13F/c1-6-3-2-4-7(8,9)5-6;1-6-4-2-3-5-7(6,8)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-7(8)5-3-2-4-6-7;1-6-4-2-3-5-7(6)8/h2*6H,2-5H2,1H3;2*6-7H,2-5H2,1H3;2-6H2,1H3;6-7H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane?
1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane has a molecular weight of 733.05 g/mol, XLogP of 15.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methylcyclohexane;1,1-difluoro-3-methylcyclohexane;1-fluoro-1-methylcyclohexane;1-fluoro-2-methylcyclohexane;1-fluoro-3-methylcyclohexane;1-fluoro-4-methylcyclohexane is sourced from PubChem (CID 157371927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).