3,3-difluoroprop-1-ynylcyclohexane

C9H12F2 — CID 67752336

IUPAC3,3-difluoroprop-1-ynylcyclohexane
SMILESFC(F)C#CC1CCCCC1
InChIInChI=1S/C9H12F2/c10-9(11)7-6-8-4-2-1-3-5-8/h8-9H,1-5H2
InChIKeyLXNNCAIMVKJMFW-UHFFFAOYSA-N
MW158.19 g/mol
LogP2.84
Rot. Bonds

About 3,3-difluoroprop-1-ynylcyclohexane

3,3-difluoroprop-1-ynylcyclohexane (PubChem CID 67752336) has the molecular formula C9H12F2 and a molecular weight of 158.19 g/mol. Its IUPAC name is 3,3-difluoroprop-1-ynylcyclohexane.

Molecular Properties

Compound Name3,3-difluoroprop-1-ynylcyclohexane
PubChem CID67752336
Molecular FormulaC9H12F2
Molecular Weight158.19 g/mol
Exact Mass158.09
IUPAC Name3,3-difluoroprop-1-ynylcyclohexane
SMILESFC(F)C#CC1CCCCC1
InChIInChI=1S/C9H12F2/c10-9(11)7-6-8-4-2-1-3-5-8/h8-9H,1-5H2
InChIKeyLXNNCAIMVKJMFW-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroprop-1-ynylcyclohexane?
The IUPAC name of 3,3-difluoroprop-1-ynylcyclohexane (CID 67752336) is 3,3-difluoroprop-1-ynylcyclohexane.
What is the SMILES notation for 3,3-difluoroprop-1-ynylcyclohexane?
The canonical SMILES for 3,3-difluoroprop-1-ynylcyclohexane is FC(F)C#CC1CCCCC1.
What is the InChIKey of 3,3-difluoroprop-1-ynylcyclohexane?
The InChIKey is LXNNCAIMVKJMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2/c10-9(11)7-6-8-4-2-1-3-5-8/h8-9H,1-5H2.
What are the key properties of 3,3-difluoroprop-1-ynylcyclohexane?
3,3-difluoroprop-1-ynylcyclohexane has a molecular weight of 158.19 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroprop-1-ynylcyclohexane is sourced from PubChem (CID 67752336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).