1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol

C11H8F6O — CID 173058879

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol
SMILESCC=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H8F6O/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h2-5,18H,1H3
InChIKeyKHPVQUDGPVBVOI-UHFFFAOYSA-N
MW270.17 g/mol
LogP4.64
Rot. Bonds1

About 1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol

1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol (PubChem CID 173058879) has the molecular formula C11H8F6O and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol
PubChem CID173058879
Molecular FormulaC11H8F6O
Molecular Weight270.17 g/mol
Exact Mass270.05
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol
SMILESCC=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H8F6O/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h2-5,18H,1H3
InChIKeyKHPVQUDGPVBVOI-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 76738963
[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]azanium chloride
CID 2736101
(Z)-1-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpent-3-en-1-imine
CID 138698803
3-tert-butyl-5-(trifluoromethyl)benzamide
CID 176746545
copper bis(3,5-bis(trifluoromethyl)benzoate)
CID 102509886
sodium 3,5-bis(trifluoromethyl)benzoate
CID 23682278
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 45428652
3-(2-cyanopropan-2-yl)-5-(trifluoromethyl)benzoic acid
CID 138754907
(2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone
CID 134113339
3-amino-5-(trifluoromethyl)benzoic acid;ethane
CID 144657223

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol (CID 173058879) is 1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol is CC=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol?
The InChIKey is KHPVQUDGPVBVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h2-5,18H,1H3.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol?
1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol has a molecular weight of 270.17 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol is sourced from PubChem (CID 173058879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).