4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol

C14H11F4NOS — CID 79881285

IUPAC4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol
SMILESOc1c(F)cc(CNc2ccccc2SC(F)F)cc1F
InChIInChI=1S/C14H11F4NOS/c15-9-5-8(6-10(16)13(9)20)7-19-11-3-1-2-4-12(11)21-14(17)18/h1-6,14,19-20H,7H2
InChIKeyHZPFBTNLQOMLEO-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.60
Rot. Bonds5

About 4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol

4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol (PubChem CID 79881285) has the molecular formula C14H11F4NOS and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol
PubChem CID79881285
Molecular FormulaC14H11F4NOS
Molecular Weight317.31 g/mol
Exact Mass317.05
IUPAC Name4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol
SMILESOc1c(F)cc(CNc2ccccc2SC(F)F)cc1F
InChIInChI=1S/C14H11F4NOS/c15-9-5-8(6-10(16)13(9)20)7-19-11-3-1-2-4-12(11)21-14(17)18/h1-6,14,19-20H,7H2
InChIKeyHZPFBTNLQOMLEO-UHFFFAOYSA-N
XLogP4.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol
CID 79881310
4-[(2-chloroanilino)methyl]-2,6-difluorophenol
CID 79886747
4-[(2-bromoanilino)methyl]-2,6-difluorophenol
CID 79886224
N-[[4-(difluoromethyl)phenyl]methyl]-2-(difluoromethylsulfanyl)aniline
CID 115523404
2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol
CID 79881281
4-[[2-(difluoromethylsulfanyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202488
2-ethylsulfanyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050545
2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methoxyphenol
CID 29271826
2-prop-2-enylsulfanyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63051218
6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol
CID 79776271
2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol
CID 60899021
2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79892131

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol?
The IUPAC name of 4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol (CID 79881285) is 4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol is Oc1c(F)cc(CNc2ccccc2SC(F)F)cc1F.
What is the InChIKey of 4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol?
The InChIKey is HZPFBTNLQOMLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NOS/c15-9-5-8(6-10(16)13(9)20)7-19-11-3-1-2-4-12(11)21-14(17)18/h1-6,14,19-20H,7H2.
What are the key properties of 4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol?
4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol has a molecular weight of 317.31 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol is sourced from PubChem (CID 79881285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).