(1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane

C9H15ClF2 — CID 134343911

IUPAC(1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane
SMILESCC(F)C(F)C1CCC[C@H](Cl)C1
InChIInChI=1S/C9H15ClF2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h6-9H,2-5H2,1H3/t6?,7?,8-,9?/m0/s1
InChIKeyMNUWJMHVTKLTCQ-HZMRZXPBSA-N
MW196.67 g/mol
LogP3.48
Rot. Bonds2

About (1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane

(1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane (PubChem CID 134343911) has the molecular formula C9H15ClF2 and a molecular weight of 196.67 g/mol. Its IUPAC name is (1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane.

Molecular Properties

Compound Name(1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane
PubChem CID134343911
Molecular FormulaC9H15ClF2
Molecular Weight196.67 g/mol
Exact Mass196.08
IUPAC Name(1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane
SMILESCC(F)C(F)C1CCC[C@H](Cl)C1
InChIInChI=1S/C9H15ClF2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h6-9H,2-5H2,1H3/t6?,7?,8-,9?/m0/s1
InChIKeyMNUWJMHVTKLTCQ-HZMRZXPBSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.67
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane?
The IUPAC name of (1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane (CID 134343911) is (1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane.
What is the SMILES notation for (1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane?
The canonical SMILES for (1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane is CC(F)C(F)C1CCC[C@H](Cl)C1.
What is the InChIKey of (1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane?
The InChIKey is MNUWJMHVTKLTCQ-HZMRZXPBSA-N. The full InChI is InChI=1S/C9H15ClF2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h6-9H,2-5H2,1H3/t6?,7?,8-,9?/m0/s1.
What are the key properties of (1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane?
(1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane has a molecular weight of 196.67 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane is sourced from PubChem (CID 134343911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).