2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol

C15H14F3NOS — CID 60899021

IUPAC2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1ccccc1SC(F)F)c1ccccc1F
InChIInChI=1S/C15H14F3NOS/c16-11-6-2-1-5-10(11)13(20)9-19-12-7-3-4-8-14(12)21-15(17)18/h1-8,13,15,19-20H,9H2
InChIKeyMIFBZNJCCGKOPP-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.29
Rot. Bonds6

About 2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol

2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol (PubChem CID 60899021) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol
PubChem CID60899021
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1ccccc1SC(F)F)c1ccccc1F
InChIInChI=1S/C15H14F3NOS/c16-11-6-2-1-5-10(11)13(20)9-19-12-7-3-4-8-14(12)21-15(17)18/h1-8,13,15,19-20H,9H2
InChIKeyMIFBZNJCCGKOPP-UHFFFAOYSA-N
XLogP4.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol
CID 60896352
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832
1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644662
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
CID 81279974
4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol
CID 79881285
2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60901932
3-fluoro-4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 79770420
1-[2-(difluoromethylsulfanyl)anilino]-3-(2-methylpropoxy)propan-2-ol
CID 60898445
2-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline
CID 43095111
2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol
CID 60896520
2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol
CID 79100107

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol (CID 60899021) is 2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol is OC(CNc1ccccc1SC(F)F)c1ccccc1F.
What is the InChIKey of 2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol?
The InChIKey is MIFBZNJCCGKOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NOS/c16-11-6-2-1-5-10(11)13(20)9-19-12-7-3-4-8-14(12)21-15(17)18/h1-8,13,15,19-20H,9H2.
What are the key properties of 2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol?
2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol has a molecular weight of 313.34 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 60899021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).