4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline

C14H11F4NS — CID 43673053

IUPAC4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(SC(F)F)cc2)c(F)c1
InChIInChI=1S/C14H11F4NS/c15-10-2-1-9(13(16)7-10)8-19-11-3-5-12(6-4-11)20-14(17)18/h1-7,14,19H,8H2
InChIKeyIGAZBWNCYMIUKF-UHFFFAOYSA-N
MW301.31 g/mol
LogP4.89
Rot. Bonds5

About 4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline

4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline (PubChem CID 43673053) has the molecular formula C14H11F4NS and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline
PubChem CID43673053
Molecular FormulaC14H11F4NS
Molecular Weight301.31 g/mol
Exact Mass301.05
IUPAC Name4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(SC(F)F)cc2)c(F)c1
InChIInChI=1S/C14H11F4NS/c15-10-2-1-9(13(16)7-10)8-19-11-3-5-12(6-4-11)20-14(17)18/h1-7,14,19H,8H2
InChIKeyIGAZBWNCYMIUKF-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883
N-[(3-chloro-4-fluorophenyl)methyl]-4-(difluoromethylsulfanyl)aniline
CID 81146194
3,5-dichloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107572844
5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690440
4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
4-(difluoromethylsulfanyl)-N-(1H-indol-3-ylmethyl)aniline
CID 60678344
4-(difluoromethylsulfanyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79579399
4-(difluoromethylsulfanyl)-N-[(2,6-dimethylphenyl)methyl]aniline
CID 78997334
N-[(4,5-dibromofuran-2-yl)methyl]-4-(difluoromethylsulfanyl)aniline
CID 62086078
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376832

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline (CID 43673053) is 4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline is Fc1ccc(CNc2ccc(SC(F)F)cc2)c(F)c1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline?
The InChIKey is IGAZBWNCYMIUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NS/c15-10-2-1-9(13(16)7-10)8-19-11-3-5-12(6-4-11)20-14(17)18/h1-7,14,19H,8H2.
What are the key properties of 4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline?
4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline has a molecular weight of 301.31 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[(2,4-difluorophenyl)methyl]aniline is sourced from PubChem (CID 43673053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).