1,1-difluoroprop-2-enylcyclohexane

C9H14F2 — CID 67843312

IUPAC1,1-difluoroprop-2-enylcyclohexane
SMILESC=CC(F)(F)C1CCCCC1
InChIInChI=1S/C9H14F2/c1-2-9(10,11)8-6-4-3-5-7-8/h2,8H,1,3-7H2
InChIKeyYKMALKFJMKNGQN-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.39
Rot. Bonds2

About 1,1-difluoroprop-2-enylcyclohexane

1,1-difluoroprop-2-enylcyclohexane (PubChem CID 67843312) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1,1-difluoroprop-2-enylcyclohexane.

Molecular Properties

Compound Name1,1-difluoroprop-2-enylcyclohexane
PubChem CID67843312
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1,1-difluoroprop-2-enylcyclohexane
SMILESC=CC(F)(F)C1CCCCC1
InChIInChI=1S/C9H14F2/c1-2-9(10,11)8-6-4-3-5-7-8/h2,8H,1,3-7H2
InChIKeyYKMALKFJMKNGQN-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroprop-2-enylcyclohexane?
The IUPAC name of 1,1-difluoroprop-2-enylcyclohexane (CID 67843312) is 1,1-difluoroprop-2-enylcyclohexane.
What is the SMILES notation for 1,1-difluoroprop-2-enylcyclohexane?
The canonical SMILES for 1,1-difluoroprop-2-enylcyclohexane is C=CC(F)(F)C1CCCCC1.
What is the InChIKey of 1,1-difluoroprop-2-enylcyclohexane?
The InChIKey is YKMALKFJMKNGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-2-9(10,11)8-6-4-3-5-7-8/h2,8H,1,3-7H2.
What are the key properties of 1,1-difluoroprop-2-enylcyclohexane?
1,1-difluoroprop-2-enylcyclohexane has a molecular weight of 160.21 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroprop-2-enylcyclohexane is sourced from PubChem (CID 67843312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).