(E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol

C11H11F3OS — CID 101453693

IUPAC(E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol
SMILESCc1ccc(S/C(=C/C(F)(F)F)CO)cc1
InChIInChI=1S/C11H11F3OS/c1-8-2-4-9(5-3-8)16-10(7-15)6-11(12,13)14/h2-6,15H,7H2,1H3/b10-6+
InChIKeyYWUPHAPTCOAKJJ-UXBLZVDNSA-N
MW248.27 g/mol
LogP3.53
Rot. Bonds3

About (E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol

(E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol (PubChem CID 101453693) has the molecular formula C11H11F3OS and a molecular weight of 248.27 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol
PubChem CID101453693
Molecular FormulaC11H11F3OS
Molecular Weight248.27 g/mol
Exact Mass248.05
IUPAC Name(E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol
SMILESCc1ccc(S/C(=C/C(F)(F)F)CO)cc1
InChIInChI=1S/C11H11F3OS/c1-8-2-4-9(5-3-8)16-10(7-15)6-11(12,13)14/h2-6,15H,7H2,1H3/b10-6+
InChIKeyYWUPHAPTCOAKJJ-UXBLZVDNSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
4-[(Trifluoroacetyl)thio]toluene
CID 2782430
4-((Trifluoromethyl)thio)benzenemethanol
CID 2777870
{4-[(Difluoromethyl)sulfanyl]phenyl}methanol
CID 39870444
1-{4-[(Trifluoromethyl)sulfanyl]phenyl}ethan-1-ol
CID 63896063
(2S,4R)-2-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)-3,4-dihydrothiopyran-4-ol
CID 154712784
1,1,1-Trifluoro-4-(4-methylphenyl)sulfonylpent-4-en-2-ol
CID 155931068
tert-Butyl 4-(trifluoromethyl)phenyl sulfide
CID 11680254
(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10488905
(2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10489870
Ctk3H9773
CID 10657326
(2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 11779969

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol?
The IUPAC name of (E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol (CID 101453693) is (E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol.
What is the SMILES notation for (E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol?
The canonical SMILES for (E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol is Cc1ccc(S/C(=C/C(F)(F)F)CO)cc1.
What is the InChIKey of (E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol?
The InChIKey is YWUPHAPTCOAKJJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H11F3OS/c1-8-2-4-9(5-3-8)16-10(7-15)6-11(12,13)14/h2-6,15H,7H2,1H3/b10-6+.
What are the key properties of (E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol?
(E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol has a molecular weight of 248.27 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol is sourced from PubChem (CID 101453693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).