(E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol

C10H9F3O — CID 19773124

IUPAC(E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESOC/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-5,7,14H,6H2/b4-2+
InChIKeyYDNLMIBCGPTFIK-DUXPYHPUSA-N
MW202.17 g/mol
LogP2.71
Rot. Bonds2

About (E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol

(E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol (PubChem CID 19773124) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is (E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol
PubChem CID19773124
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name(E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESOC/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-5,7,14H,6H2/b4-2+
InChIKeyYDNLMIBCGPTFIK-DUXPYHPUSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cinnamyl Alcohol
CID 5315892
3-Phenylprop-2-En-1-Ol
CID 308
4-Phenylbut-3-en-2-ol
CID 15172
(3Z)-4-Phenyl-3-buten-2-ol
CID 11469151
4-Phenyl-3-buten-2-ol, (3E)-
CID 5369489
2-Methyl-3-phenyl-2-propen-1-ol
CID 560879
alpha-Methylcinnamic alcohol
CID 6393846
2-Propen-1-ol, 2-methyl-3-(4-methylphenyl)-, (2E)-
CID 15683411
(Z)-3-Phenyl-2-propen-1-ol
CID 5280511
Prop-2-en-1-ol--ethenylbenzene (1/1)
CID 168293
2-Buten-1-ol, 3-phenyl-
CID 5462893
Benzenepropanol, 3-(trifluoromethyl)-
CID 18755618

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol (CID 19773124) is (E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol is OC/C=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The InChIKey is YDNLMIBCGPTFIK-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-5,7,14H,6H2/b4-2+.
What are the key properties of (E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol?
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol has a molecular weight of 202.17 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 19773124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).