2-(benzenesulfinyl)-2-fluoro-1-phenylethanol

C14H13FO2S — CID 10967379

IUPAC2-(benzenesulfinyl)-2-fluoro-1-phenylethanol
SMILESO=S(c1ccccc1)C(F)C(O)c1ccccc1
InChIInChI=1S/C14H13FO2S/c15-14(13(16)11-7-3-1-4-8-11)18(17)12-9-5-2-6-10-12/h1-10,13-14,16H
InChIKeyRODMPDFUZOUEGV-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.82
Rot. Bonds4

About 2-(benzenesulfinyl)-2-fluoro-1-phenylethanol

2-(benzenesulfinyl)-2-fluoro-1-phenylethanol (PubChem CID 10967379) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-2-fluoro-1-phenylethanol.

Molecular Properties

Compound Name2-(benzenesulfinyl)-2-fluoro-1-phenylethanol
PubChem CID10967379
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name2-(benzenesulfinyl)-2-fluoro-1-phenylethanol
SMILESO=S(c1ccccc1)C(F)C(O)c1ccccc1
InChIInChI=1S/C14H13FO2S/c15-14(13(16)11-7-3-1-4-8-11)18(17)12-9-5-2-6-10-12/h1-10,13-14,16H
InChIKeyRODMPDFUZOUEGV-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2-difluoro-1-phenylethanol
CID 12955760
1,2-diphenylethane-1,2-diol
CID 159073808
(1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 10613755
(1S)-1,2,2-triphenylethanol
CID 38988933
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1R)-2-chloro-2-fluoro-1-phenylethanol
CID 102153591
(1R,4R)-4-(benzenesulfinyl)-1-phenylpent-2-en-1-ol
CID 177470262
2-(benzenesulfinyl)-1,2-diphenylethanone
CID 11131014
(3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid
CID 95909198
benzene;2-phenylethane-1,1,2-triol
CID 174439943
4-[carboxy(phenyl)methyl]sulfinylbenzoic acid
CID 3643906
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-2-fluoro-1-phenylethanol?
The IUPAC name of 2-(benzenesulfinyl)-2-fluoro-1-phenylethanol (CID 10967379) is 2-(benzenesulfinyl)-2-fluoro-1-phenylethanol.
What is the SMILES notation for 2-(benzenesulfinyl)-2-fluoro-1-phenylethanol?
The canonical SMILES for 2-(benzenesulfinyl)-2-fluoro-1-phenylethanol is O=S(c1ccccc1)C(F)C(O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-2-fluoro-1-phenylethanol?
The InChIKey is RODMPDFUZOUEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c15-14(13(16)11-7-3-1-4-8-11)18(17)12-9-5-2-6-10-12/h1-10,13-14,16H.
What are the key properties of 2-(benzenesulfinyl)-2-fluoro-1-phenylethanol?
2-(benzenesulfinyl)-2-fluoro-1-phenylethanol has a molecular weight of 264.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-2-fluoro-1-phenylethanol is sourced from PubChem (CID 10967379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).