(Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol

C10H7F5O — CID 125477473

IUPAC(Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol
SMILESO[C@H](/C(F)=C(/F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H7F5O/c11-7(9(12)10(13,14)15)8(16)6-4-2-1-3-5-6/h1-5,8,16H/b9-7-/t8-/m0/s1
InChIKeyQSCHFDBOEWCNOP-FZGDARCMSA-N
MW238.16 g/mol
LogP3.43
Rot. Bonds2

About (Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol

(Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol (PubChem CID 125477473) has the molecular formula C10H7F5O and a molecular weight of 238.16 g/mol. Its IUPAC name is (Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol
PubChem CID125477473
Molecular FormulaC10H7F5O
Molecular Weight238.16 g/mol
Exact Mass238.04
IUPAC Name(Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol
SMILESO[C@H](/C(F)=C(/F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H7F5O/c11-7(9(12)10(13,14)15)8(16)6-4-2-1-3-5-6/h1-5,8,16H/b9-7-/t8-/m0/s1
InChIKeyQSCHFDBOEWCNOP-FZGDARCMSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 12566937
[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 12566938
2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 10979726
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 54591246
(1R)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 92981235
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845

Frequently Asked Questions

What is the IUPAC name of (Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol?
The IUPAC name of (Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol (CID 125477473) is (Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol.
What is the SMILES notation for (Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol?
The canonical SMILES for (Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol is O[C@H](/C(F)=C(/F)C(F)(F)F)c1ccccc1.
What is the InChIKey of (Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol?
The InChIKey is QSCHFDBOEWCNOP-FZGDARCMSA-N. The full InChI is InChI=1S/C10H7F5O/c11-7(9(12)10(13,14)15)8(16)6-4-2-1-3-5-6/h1-5,8,16H/b9-7-/t8-/m0/s1.
What are the key properties of (Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol?
(Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol has a molecular weight of 238.16 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol is sourced from PubChem (CID 125477473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).