[4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol

C16H16F3NOS — CID 110006470

IUPAC[4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccccc2SCC(F)(F)F)cc1
InChIInChI=1S/C16H16F3NOS/c17-16(18,19)11-22-15-4-2-1-3-14(15)20-9-12-5-7-13(10-21)8-6-12/h1-8,20-21H,9-11H2
InChIKeyUJJOEANTEHRRGA-UHFFFAOYSA-N
MW327.37 g/mol
LogP4.45
Rot. Bonds6

About [4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol

[4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol (PubChem CID 110006470) has the molecular formula C16H16F3NOS and a molecular weight of 327.37 g/mol. Its IUPAC name is [4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol
PubChem CID110006470
Molecular FormulaC16H16F3NOS
Molecular Weight327.37 g/mol
Exact Mass327.09
IUPAC Name[4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccccc2SCC(F)(F)F)cc1
InChIInChI=1S/C16H16F3NOS/c17-16(18,19)11-22-15-4-2-1-3-14(15)20-9-12-5-7-13(10-21)8-6-12/h1-8,20-21H,9-11H2
InChIKeyUJJOEANTEHRRGA-UHFFFAOYSA-N
XLogP4.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691379
N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43426079
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63091072
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691329
2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 14098781
[4-[[2-(2,2-difluoroethoxy)anilino]methyl]phenyl]methanol
CID 110006746
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63433063
(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61180010
[4-[(2-aminoanilino)methyl]phenyl]methanol
CID 107231520
N-[(4-ethylphenyl)methyl]-2-(trifluoromethylsulfanyl)aniline
CID 43676654
N-(3-methoxy-3-methylbutyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 102975645
2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 46419999

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol (CID 110006470) is [4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol is OCc1ccc(CNc2ccccc2SCC(F)(F)F)cc1.
What is the InChIKey of [4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol?
The InChIKey is UJJOEANTEHRRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NOS/c17-16(18,19)11-22-15-4-2-1-3-14(15)20-9-12-5-7-13(10-21)8-6-12/h1-8,20-21H,9-11H2.
What are the key properties of [4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol?
[4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol has a molecular weight of 327.37 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol is sourced from PubChem (CID 110006470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).