(1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol

C14H13F5OS — CID 135031374

IUPAC(1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol
SMILESO[C@@H](Cc1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C14H13F5OS/c15-21(16,17,18,19)13-8-4-5-11(9-13)10-14(20)12-6-2-1-3-7-12/h1-9,14,20H,10H2/t14-/m0/s1
InChIKeyJARVHIYOPNDTSB-AWEZNQCLSA-N
MW324.31 g/mol
LogP5.62
Rot. Bonds4

About (1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol

(1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol (PubChem CID 135031374) has the molecular formula C14H13F5OS and a molecular weight of 324.31 g/mol. Its IUPAC name is (1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol
PubChem CID135031374
Molecular FormulaC14H13F5OS
Molecular Weight324.31 g/mol
Exact Mass324.06
IUPAC Name(1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol
SMILESO[C@@H](Cc1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C14H13F5OS/c15-21(16,17,18,19)13-8-4-5-11(9-13)10-14(20)12-6-2-1-3-7-12/h1-9,14,20H,10H2/t14-/m0/s1
InChIKeyJARVHIYOPNDTSB-AWEZNQCLSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzhydrol
CID 7037
1,2-Diphenylethanol
CID 94178
trans-1,3-Diphenyl-2-propen-1-ol
CID 5712032
4,4'-Difluorobenzhydryl alcohol
CID 123049
3-(Trifluoromethyl)benzhydrol
CID 2777404
2,3,4,5,6-Pentafluorobenzhydryl alcohol
CID 102725
4-Fluorobenzhydrol
CID 570753
Bis(3-(trifluoromethyl)phenyl)methanol
CID 2736113
(s)-1,2-Diphenylethanol
CID 1379021
(2-Fluorophenyl)(phenyl)methanol
CID 10584252
(3-Sulfanylphenyl)methanol
CID 12813879
1-(4-Sulfanylphenyl)ethan-1-ol
CID 14388411

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol?
The IUPAC name of (1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol (CID 135031374) is (1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol is O[C@@H](Cc1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1.
What is the InChIKey of (1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol?
The InChIKey is JARVHIYOPNDTSB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13F5OS/c15-21(16,17,18,19)13-8-4-5-11(9-13)10-14(20)12-6-2-1-3-7-12/h1-9,14,20H,10H2/t14-/m0/s1.
What are the key properties of (1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol?
(1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol has a molecular weight of 324.31 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[3-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenylethanol is sourced from PubChem (CID 135031374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).