1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol

C9H13F3O — CID 62079269

IUPAC1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)C1=CCCCC1
InChIInChI=1S/C9H13F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h4,8,13H,1-3,5-6H2
InChIKeyVEENDBCNWGPXET-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.80
Rot. Bonds2

About 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol

1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol (PubChem CID 62079269) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol
PubChem CID62079269
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)C1=CCCCC1
InChIInChI=1S/C9H13F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h4,8,13H,1-3,5-6H2
InChIKeyVEENDBCNWGPXET-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

1-(1-Cyclohexen-1-yl)ethanol
CID 537539
1-Cyclohexenyl-3-buten-1-ol
CID 13346445
1-(Cyclopent-1-en-1-yl)-2,2,2-trifluoroethan-1-ol
CID 62079106
(1S)-3-ethylcyclohex-2-en-1-ol
CID 10855462
(s)-1-Cyclohex-1-enyl-ethanol
CID 11018877
3-Methyl-2-cyclohepten-1-ol
CID 13636338
Nonylphenol-d8
CID 129853604
(1R)-2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol
CID 10219950
(RS)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-ol
CID 15389979
2,2,2-Trifluoro-1-(2-methoxycyclohexen-1-yl)ethanol
CID 20709914
4-Methyldodec-3-EN-5-OL
CID 54176839
4-Methyltridec-3-EN-5-OL
CID 54483409

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol (CID 62079269) is 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol is OC(CC(F)(F)F)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol?
The InChIKey is VEENDBCNWGPXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h4,8,13H,1-3,5-6H2.
What are the key properties of 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol?
1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol has a molecular weight of 194.20 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 62079269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).