1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol

C9H12F2O — CID 14384442

IUPAC1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol
SMILESC=CC(F)(F)C1(O)C=CCCC1
InChIInChI=1S/C9H12F2O/c1-2-9(10,11)8(12)6-4-3-5-7-8/h2,4,6,12H,1,3,5,7H2
InChIKeyQPDRQNDQXYPMCJ-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.28
Rot. Bonds2

About 1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol

1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol (PubChem CID 14384442) has the molecular formula C9H12F2O and a molecular weight of 174.19 g/mol. Its IUPAC name is 1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol
PubChem CID14384442
Molecular FormulaC9H12F2O
Molecular Weight174.19 g/mol
Exact Mass174.09
IUPAC Name1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol
SMILESC=CC(F)(F)C1(O)C=CCCC1
InChIInChI=1S/C9H12F2O/c1-2-9(10,11)8(12)6-4-3-5-7-8/h2,4,6,12H,1,3,5,7H2
InChIKeyQPDRQNDQXYPMCJ-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

a-Trifluoromethyl-3-cyclohexenol
CID 66596130
(E)-1-(3,3,3-trifluoroprop-1-en-1-yl)cyclohexan-1-ol
CID 77114651
1-Allyl-2-cyclohexen-1-ol
CID 566307
2-Cyclohexen-1-ol, 1-ethenyl-
CID 10855445
(+)-1-Ethyl-2-cyclohexen-1-ol
CID 13862295
1-(Trifluoromethyl)cyclohex-2-en-1-ol
CID 10877484
3-Hydroxy-3-(pentafluoroethyl)cyclohexene
CID 13495699
(1R,4aR,8aS)-1-allyl-8,8-difluoro-2,5-dimethyl-1,4,4a,7,8,8a-hexahydronaphthalen-1-ol
CID 168301396
1-Prop-1-en-2-ylcyclohex-2-en-1-ol
CID 116005098
1-Ethenylcyclohex-3-en-1-ol
CID 185474
1,1,1,3,3,3-Hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol
CID 89138985
(6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol
CID 126725696

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol (CID 14384442) is 1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol is C=CC(F)(F)C1(O)C=CCCC1.
What is the InChIKey of 1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol?
The InChIKey is QPDRQNDQXYPMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O/c1-2-9(10,11)8(12)6-4-3-5-7-8/h2,4,6,12H,1,3,5,7H2.
What are the key properties of 1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol?
1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol has a molecular weight of 174.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroprop-2-enyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 14384442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).