5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline

C14H10ClF4NS — CID 43438384

IUPAC5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline
SMILESFc1ccc(Cl)cc1NCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H10ClF4NS/c15-10-3-6-12(16)13(7-10)20-8-9-1-4-11(5-2-9)21-14(17,18)19/h1-7,20H,8H2
InChIKeyKUXWKAMPQYKTNU-UHFFFAOYSA-N
MW335.75 g/mol
LogP5.70
Rot. Bonds4

About 5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline

5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline (PubChem CID 43438384) has the molecular formula C14H10ClF4NS and a molecular weight of 335.75 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline
PubChem CID43438384
Molecular FormulaC14H10ClF4NS
Molecular Weight335.75 g/mol
Exact Mass335.02
IUPAC Name5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline
SMILESFc1ccc(Cl)cc1NCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H10ClF4NS/c15-10-3-6-12(16)13(7-10)20-8-9-1-4-11(5-2-9)21-14(17,18)19/h1-7,20H,8H2
InChIKeyKUXWKAMPQYKTNU-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.75
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline
CID 29267048
4-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 43438420
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381912
5-chloro-2-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43775985
4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
3-bromo-2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline
CID 107630050
1-(4-methylphenyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 29273379
2,6-dibromo-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline
CID 107597318
2-methyl-1-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propan-2-ol
CID 63933936
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 115405900

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline?
The IUPAC name of 5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline (CID 43438384) is 5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline is Fc1ccc(Cl)cc1NCc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline?
The InChIKey is KUXWKAMPQYKTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NS/c15-10-3-6-12(16)13(7-10)20-8-9-1-4-11(5-2-9)21-14(17,18)19/h1-7,20H,8H2.
What are the key properties of 5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline?
5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline has a molecular weight of 335.75 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline is sourced from PubChem (CID 43438384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).