1,1,4-trifluoro-2-phenylbut-3-en-2-ol

C10H9F3O — CID 175602926

IUPAC1,1,4-trifluoro-2-phenylbut-3-en-2-ol
SMILESOC(C=CF)(c1ccccc1)C(F)F
InChIInChI=1S/C10H9F3O/c11-7-6-10(14,9(12)13)8-4-2-1-3-5-8/h1-7,9,14H
InChIKeyYOAQCNNAMUVAGD-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.62
Rot. Bonds3

About 1,1,4-trifluoro-2-phenylbut-3-en-2-ol

1,1,4-trifluoro-2-phenylbut-3-en-2-ol (PubChem CID 175602926) has the molecular formula C10H9F3O and a molecular weight of 202.18 g/mol. Its IUPAC name is 1,1,4-trifluoro-2-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name1,1,4-trifluoro-2-phenylbut-3-en-2-ol
PubChem CID175602926
Molecular FormulaC10H9F3O
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Name1,1,4-trifluoro-2-phenylbut-3-en-2-ol
SMILESOC(C=CF)(c1ccccc1)C(F)F
InChIInChI=1S/C10H9F3O/c11-7-6-10(14,9(12)13)8-4-2-1-3-5-8/h1-7,9,14H
InChIKeyYOAQCNNAMUVAGD-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-3-methyl-2-phenylbutanal
CID 12859212
diphenylmethanediol;dihydrochloride
CID 174953837
(E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol
CID 169226625
1-phenylbut-3-ene-1,1-diol
CID 134892936
(Z)-1,1,3-triphenylprop-2-en-1-ol
CID 92856099
3-hydroxy-3-phenyl-2-propan-2-ylpent-4-enoic acid
CID 66039315
[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol
CID 19973681
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 15527575
[1-bromo-1-(1-bromo-2,2-difluoro-1-phenylethyl)sulfanyl-2,2-difluoroethyl]benzene
CID 88751128
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799

Frequently Asked Questions

What is the IUPAC name of 1,1,4-trifluoro-2-phenylbut-3-en-2-ol?
The IUPAC name of 1,1,4-trifluoro-2-phenylbut-3-en-2-ol (CID 175602926) is 1,1,4-trifluoro-2-phenylbut-3-en-2-ol.
What is the SMILES notation for 1,1,4-trifluoro-2-phenylbut-3-en-2-ol?
The canonical SMILES for 1,1,4-trifluoro-2-phenylbut-3-en-2-ol is OC(C=CF)(c1ccccc1)C(F)F.
What is the InChIKey of 1,1,4-trifluoro-2-phenylbut-3-en-2-ol?
The InChIKey is YOAQCNNAMUVAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c11-7-6-10(14,9(12)13)8-4-2-1-3-5-8/h1-7,9,14H.
What are the key properties of 1,1,4-trifluoro-2-phenylbut-3-en-2-ol?
1,1,4-trifluoro-2-phenylbut-3-en-2-ol has a molecular weight of 202.18 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4-trifluoro-2-phenylbut-3-en-2-ol is sourced from PubChem (CID 175602926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).