(1R)-1,3-difluoro-2-methylcyclohexane

C7H12F2 — CID 134531645

IUPAC(1R)-1,3-difluoro-2-methylcyclohexane
SMILESCC1C(F)CCC[C@H]1F
InChIInChI=1S/C7H12F2/c1-5-6(8)3-2-4-7(5)9/h5-7H,2-4H2,1H3/t5?,6-,7?/m1/s1
InChIKeySTKMGTFXDMLEJE-YURFNIAASA-N
MW134.17 g/mol
LogP2.48
Rot. Bonds

About (1R)-1,3-difluoro-2-methylcyclohexane

(1R)-1,3-difluoro-2-methylcyclohexane (PubChem CID 134531645) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is (1R)-1,3-difluoro-2-methylcyclohexane.

Molecular Properties

Compound Name(1R)-1,3-difluoro-2-methylcyclohexane
PubChem CID134531645
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name(1R)-1,3-difluoro-2-methylcyclohexane
SMILESCC1C(F)CCC[C@H]1F
InChIInChI=1S/C7H12F2/c1-5-6(8)3-2-4-7(5)9/h5-7H,2-4H2,1H3/t5?,6-,7?/m1/s1
InChIKeySTKMGTFXDMLEJE-YURFNIAASA-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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Frequently Asked Questions

What is the IUPAC name of (1R)-1,3-difluoro-2-methylcyclohexane?
The IUPAC name of (1R)-1,3-difluoro-2-methylcyclohexane (CID 134531645) is (1R)-1,3-difluoro-2-methylcyclohexane.
What is the SMILES notation for (1R)-1,3-difluoro-2-methylcyclohexane?
The canonical SMILES for (1R)-1,3-difluoro-2-methylcyclohexane is CC1C(F)CCC[C@H]1F.
What is the InChIKey of (1R)-1,3-difluoro-2-methylcyclohexane?
The InChIKey is STKMGTFXDMLEJE-YURFNIAASA-N. The full InChI is InChI=1S/C7H12F2/c1-5-6(8)3-2-4-7(5)9/h5-7H,2-4H2,1H3/t5?,6-,7?/m1/s1.
What are the key properties of (1R)-1,3-difluoro-2-methylcyclohexane?
(1R)-1,3-difluoro-2-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 (1R)-1,3-difluoro-2-methylcyclohexane is sourced from PubChem (CID 134531645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).