1-(1,1-difluoroprop-2-ynyl)cyclohexene

C9H10F2 — CID 91302969

IUPAC1-(1,1-difluoroprop-2-ynyl)cyclohexene
SMILESC#CC(F)(F)C1=CCCCC1
InChIInChI=1S/C9H10F2/c1-2-9(10,11)8-6-4-3-5-7-8/h1,6H,3-5,7H2
InChIKeyKNFZYUDSUNNTKC-UHFFFAOYSA-N
MW156.18 g/mol
LogP2.76
Rot. Bonds1

About 1-(1,1-difluoroprop-2-ynyl)cyclohexene

1-(1,1-difluoroprop-2-ynyl)cyclohexene (PubChem CID 91302969) has the molecular formula C9H10F2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-(1,1-difluoroprop-2-ynyl)cyclohexene.

Molecular Properties

Compound Name1-(1,1-difluoroprop-2-ynyl)cyclohexene
PubChem CID91302969
Molecular FormulaC9H10F2
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1-(1,1-difluoroprop-2-ynyl)cyclohexene
SMILESC#CC(F)(F)C1=CCCCC1
InChIInChI=1S/C9H10F2/c1-2-9(10,11)8-6-4-3-5-7-8/h1,6H,3-5,7H2
InChIKeyKNFZYUDSUNNTKC-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroprop-2-ynyl)cyclohexene?
The IUPAC name of 1-(1,1-difluoroprop-2-ynyl)cyclohexene (CID 91302969) is 1-(1,1-difluoroprop-2-ynyl)cyclohexene.
What is the SMILES notation for 1-(1,1-difluoroprop-2-ynyl)cyclohexene?
The canonical SMILES for 1-(1,1-difluoroprop-2-ynyl)cyclohexene is C#CC(F)(F)C1=CCCCC1.
What is the InChIKey of 1-(1,1-difluoroprop-2-ynyl)cyclohexene?
The InChIKey is KNFZYUDSUNNTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2/c1-2-9(10,11)8-6-4-3-5-7-8/h1,6H,3-5,7H2.
What are the key properties of 1-(1,1-difluoroprop-2-ynyl)cyclohexene?
1-(1,1-difluoroprop-2-ynyl)cyclohexene has a molecular weight of 156.18 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroprop-2-ynyl)cyclohexene is sourced from PubChem (CID 91302969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).