1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol

C9H13F3O — CID 77114651

IUPAC1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol
SMILESOC1(/C=C/C(F)(F)F)CCCCC1
InChIInChI=1S/C9H13F3O/c10-9(11,12)7-6-8(13)4-2-1-3-5-8/h6-7,13H,1-5H2/b7-6+
InChIKeyKAWZCNMORJTCKL-VOTSOKGWSA-N
MW194.20 g/mol
LogP2.80
Rot. Bonds1

About 1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol

1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol (PubChem CID 77114651) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol
PubChem CID77114651
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol
SMILESOC1(/C=C/C(F)(F)F)CCCCC1
InChIInChI=1S/C9H13F3O/c10-9(11,12)7-6-8(13)4-2-1-3-5-8/h6-7,13H,1-5H2/b7-6+
InChIKeyKAWZCNMORJTCKL-VOTSOKGWSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol (CID 77114651) is 1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol is OC1(/C=C/C(F)(F)F)CCCCC1.
What is the InChIKey of 1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol?
The InChIKey is KAWZCNMORJTCKL-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H13F3O/c10-9(11,12)7-6-8(13)4-2-1-3-5-8/h6-7,13H,1-5H2/b7-6+.
What are the key properties of 1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol?
1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol has a molecular weight of 194.20 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 77114651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).