1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol

C10H16F2O — CID 15697149

IUPAC1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol
SMILESC=CC(F)(F)C1(O)CCCCC1C
InChIInChI=1S/C10H16F2O/c1-3-10(11,12)9(13)7-5-4-6-8(9)2/h3,8,13H,1,4-7H2,2H3
InChIKeySBMOVJNFMLCTAG-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.75
Rot. Bonds2

About 1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol

1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol (PubChem CID 15697149) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol
PubChem CID15697149
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol
SMILESC=CC(F)(F)C1(O)CCCCC1C
InChIInChI=1S/C10H16F2O/c1-3-10(11,12)9(13)7-5-4-6-8(9)2/h3,8,13H,1,4-7H2,2H3
InChIKeySBMOVJNFMLCTAG-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.75
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

1-(1,1-Difluoroprop-2-enyl)cyclohexan-1-ol
CID 12591135
(R)-2-cyclohexyl-1,1,1-trifluoropent-4-en-2-ol
CID 118988123
(Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol
CID 134957805
2-Isopropenyl-1-vinylcyclohexan-1-ol
CID 12677739
(E)-3-cyclohexyl-1,1,1,3-tetrafluoro-2-methylhex-4-en-2-ol
CID 176556817
1-Ethenyl-2-methylcyclohexan-1-ol
CID 235855
1-Allyl-2-methylcyclohexanol
CID 6422231
trans-(1S,2R)-1-ethenyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 11378705
cis-(1R,2R)-2-ethenyl-1-prop-1-en-2-ylcyclohexan-1-ol
CID 11816067
CID 178185707
CID 178185707
CID 178185708
CID 178185708
trans-(1S,2S)-1-ethenyl-2-(1,2,2-trifluoroethenyl)cyclohexan-1-ol
CID 23237285

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol?
The IUPAC name of 1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol (CID 15697149) is 1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol?
The canonical SMILES for 1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol is C=CC(F)(F)C1(O)CCCCC1C.
What is the InChIKey of 1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol?
The InChIKey is SBMOVJNFMLCTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-3-10(11,12)9(13)7-5-4-6-8(9)2/h3,8,13H,1,4-7H2,2H3.
What are the key properties of 1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol?
1-(1,1-difluoroprop-2-enyl)-2-methylcyclohexan-1-ol has a molecular weight of 190.23 g/mol, XLogP of 2.75, 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)-2-methylcyclohexan-1-ol is sourced from PubChem (CID 15697149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).