2-(3,4-difluorophenyl)sulfanylethanol

C8H8F2OS — CID 43392369

IUPAC2-(3,4-difluorophenyl)sulfanylethanol
SMILESOCCSc1ccc(F)c(F)c1
InChIInChI=1S/C8H8F2OS/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5,11H,3-4H2
InChIKeyUJBDCDQAKYIXPS-UHFFFAOYSA-N
MW190.21 g/mol
LogP2.05
Rot. Bonds3

About 2-(3,4-difluorophenyl)sulfanylethanol

2-(3,4-difluorophenyl)sulfanylethanol (PubChem CID 43392369) has the molecular formula C8H8F2OS and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanylethanol
PubChem CID43392369
Molecular FormulaC8H8F2OS
Molecular Weight190.21 g/mol
Exact Mass190.03
IUPAC Name2-(3,4-difluorophenyl)sulfanylethanol
SMILESOCCSc1ccc(F)c(F)c1
InChIInChI=1S/C8H8F2OS/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5,11H,3-4H2
InChIKeyUJBDCDQAKYIXPS-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol
CID 64821944
5-(3,4-difluorophenyl)sulfanylpentan-2-one
CID 43425972
N-cyano-3-(3,4-difluorophenyl)sulfanylpropanamide
CID 79195397
4-(3,4-difluorophenyl)sulfanyl-2-(propan-2-ylamino)butan-1-ol
CID 64819699
4-(3,4-difluorophenyl)sulfanyl-2,2-dimethylbutanenitrile
CID 65176383
2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide
CID 63033564
3-(3,4-difluorophenyl)sulfanyl-N-methylpropan-1-amine
CID 61385791
2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-4-hydroxybutanoic acid
CID 61244211
2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol
CID 2192654
5-(3,4-difluorophenyl)sulfanyl-2,2-dimethylpentanoic acid
CID 65260281
5-(3,4-difluorophenyl)sulfanylpentan-2-amine
CID 64615787
2-[7-(2-hydroxyethylsulfanyl)phenazin-2-yl]sulfanylethanol
CID 15048490

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanylethanol?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanylethanol (CID 43392369) is 2-(3,4-difluorophenyl)sulfanylethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanylethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanylethanol is OCCSc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanylethanol?
The InChIKey is UJBDCDQAKYIXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2OS/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5,11H,3-4H2.
What are the key properties of 2-(3,4-difluorophenyl)sulfanylethanol?
2-(3,4-difluorophenyl)sulfanylethanol has a molecular weight of 190.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanylethanol is sourced from PubChem (CID 43392369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).