3-(2-fluorophenyl)sulfanylbut-3-en-2-ol

C10H11FOS — CID 155930877

IUPAC3-(2-fluorophenyl)sulfanylbut-3-en-2-ol
SMILESC=C(Sc1ccccc1F)C(C)O
InChIInChI=1S/C10H11FOS/c1-7(12)8(2)13-10-6-4-3-5-9(10)11/h3-7,12H,2H2,1H3
InChIKeyVUKFLEABNUHRCA-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.81
Rot. Bonds3

About 3-(2-fluorophenyl)sulfanylbut-3-en-2-ol

3-(2-fluorophenyl)sulfanylbut-3-en-2-ol (PubChem CID 155930877) has the molecular formula C10H11FOS and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanylbut-3-en-2-ol.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanylbut-3-en-2-ol
PubChem CID155930877
Molecular FormulaC10H11FOS
Molecular Weight198.26 g/mol
Exact Mass198.05
IUPAC Name3-(2-fluorophenyl)sulfanylbut-3-en-2-ol
SMILESC=C(Sc1ccccc1F)C(C)O
InChIInChI=1S/C10H11FOS/c1-7(12)8(2)13-10-6-4-3-5-9(10)11/h3-7,12H,2H2,1H3
InChIKeyVUKFLEABNUHRCA-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 69685
1-(Phenylthio)-2-propanol
CID 99788
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4-Fluorophenyl 2-oxiranylmethyl sulfide
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2-(4-Fluoro-phenylsulfanyl)-ethanol
CID 2759148
2-(Phenylthio)-2,2-difluoroethanol
CID 51033051
2-Butanol, 1-(phenylthio)-
CID 580222
4-(Phenylsulfanyl)-2-butanol
CID 11019506
(2E)-2-Methyl-4-(phenylthio)-2-buten-1-ol
CID 11159875
1-(Phenylsulfinyl)propan-2-ol
CID 12619450
2-(Phenylsulfanyl)propan-1-ol
CID 15563453
2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol
CID 373327

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanylbut-3-en-2-ol?
The IUPAC name of 3-(2-fluorophenyl)sulfanylbut-3-en-2-ol (CID 155930877) is 3-(2-fluorophenyl)sulfanylbut-3-en-2-ol.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanylbut-3-en-2-ol?
The canonical SMILES for 3-(2-fluorophenyl)sulfanylbut-3-en-2-ol is C=C(Sc1ccccc1F)C(C)O.
What is the InChIKey of 3-(2-fluorophenyl)sulfanylbut-3-en-2-ol?
The InChIKey is VUKFLEABNUHRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FOS/c1-7(12)8(2)13-10-6-4-3-5-9(10)11/h3-7,12H,2H2,1H3.
What are the key properties of 3-(2-fluorophenyl)sulfanylbut-3-en-2-ol?
3-(2-fluorophenyl)sulfanylbut-3-en-2-ol has a molecular weight of 198.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanylbut-3-en-2-ol is sourced from PubChem (CID 155930877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).