(4R)-1,2-difluoro-4-methylcyclohexane

C7H12F2 — CID 89362565

IUPAC(4R)-1,2-difluoro-4-methylcyclohexane
SMILESC[C@@H]1CCC(F)C(F)C1
InChIInChI=1S/C7H12F2/c1-5-2-3-6(8)7(9)4-5/h5-7H,2-4H2,1H3/t5-,6?,7?/m1/s1
InChIKeyDWJSCBMGXAZXHE-GRQBKTHUSA-N
MW134.17 g/mol
LogP2.48
Rot. Bonds

About (4R)-1,2-difluoro-4-methylcyclohexane

(4R)-1,2-difluoro-4-methylcyclohexane (PubChem CID 89362565) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is (4R)-1,2-difluoro-4-methylcyclohexane.

Molecular Properties

Compound Name(4R)-1,2-difluoro-4-methylcyclohexane
PubChem CID89362565
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name(4R)-1,2-difluoro-4-methylcyclohexane
SMILESC[C@@H]1CCC(F)C(F)C1
InChIInChI=1S/C7H12F2/c1-5-2-3-6(8)7(9)4-5/h5-7H,2-4H2,1H3/t5-,6?,7?/m1/s1
InChIKeyDWJSCBMGXAZXHE-GRQBKTHUSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142971586
2-fluoro-5-methylcyclohexan-1-ol
CID 89088193
(1R,2S,5R)-2-fluoro-5-methylcyclohexan-1-ol
CID 126641319
1,2-difluoro-4,5-dimethylcycloheptane
CID 143035426
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;methane;molecular hydrogen;dihydrate
CID 159408600
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
(1R)-1-fluoro-3-methylcyclopentane
CID 126671048
1-tert-butyl-2-fluoro-4-methylcyclohexane
CID 21027517
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
bis(1,3-difluoro-2,5-dimethylcyclohexane);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylcyclohexane);pentahydrate
CID 159094413
2-fluoro-4-methyl-1-propan-2-yloxycyclohexane
CID 129120859

Frequently Asked Questions

What is the IUPAC name of (4R)-1,2-difluoro-4-methylcyclohexane?
The IUPAC name of (4R)-1,2-difluoro-4-methylcyclohexane (CID 89362565) is (4R)-1,2-difluoro-4-methylcyclohexane.
What is the SMILES notation for (4R)-1,2-difluoro-4-methylcyclohexane?
The canonical SMILES for (4R)-1,2-difluoro-4-methylcyclohexane is C[C@@H]1CCC(F)C(F)C1.
What is the InChIKey of (4R)-1,2-difluoro-4-methylcyclohexane?
The InChIKey is DWJSCBMGXAZXHE-GRQBKTHUSA-N. The full InChI is InChI=1S/C7H12F2/c1-5-2-3-6(8)7(9)4-5/h5-7H,2-4H2,1H3/t5-,6?,7?/m1/s1.
What are the key properties of (4R)-1,2-difluoro-4-methylcyclohexane?
(4R)-1,2-difluoro-4-methylcyclohexane has a molecular weight of 134.17 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,2-difluoro-4-methylcyclohexane is sourced from PubChem (CID 89362565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).