3,3-difluoropropylcyclohexane

C9H16F2 — CID 23184748

IUPAC3,3-difluoropropylcyclohexane
SMILESFC(F)CCC1CCCCC1
InChIInChI=1S/C9H16F2/c10-9(11)7-6-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyVXGSZMWTESTQCX-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.61
Rot. Bonds3

About 3,3-difluoropropylcyclohexane

3,3-difluoropropylcyclohexane (PubChem CID 23184748) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 3,3-difluoropropylcyclohexane.

Molecular Properties

Compound Name3,3-difluoropropylcyclohexane
PubChem CID23184748
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name3,3-difluoropropylcyclohexane
SMILESFC(F)CCC1CCCCC1
InChIInChI=1S/C9H16F2/c10-9(11)7-6-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyVXGSZMWTESTQCX-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropropylcyclohexane?
The IUPAC name of 3,3-difluoropropylcyclohexane (CID 23184748) is 3,3-difluoropropylcyclohexane.
What is the SMILES notation for 3,3-difluoropropylcyclohexane?
The canonical SMILES for 3,3-difluoropropylcyclohexane is FC(F)CCC1CCCCC1.
What is the InChIKey of 3,3-difluoropropylcyclohexane?
The InChIKey is VXGSZMWTESTQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c10-9(11)7-6-8-4-2-1-3-5-8/h8-9H,1-7H2.
What are the key properties of 3,3-difluoropropylcyclohexane?
3,3-difluoropropylcyclohexane has a molecular weight of 162.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropropylcyclohexane is sourced from PubChem (CID 23184748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).