3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

C14H10ClF4N — CID 107363874

IUPAC3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(Cl)cc(NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10ClF4N/c15-11-5-12(16)7-13(6-11)20-8-9-2-1-3-10(4-9)14(17,18)19/h1-7,20H,8H2
InChIKeyCUUAJIKMDOBXPR-UHFFFAOYSA-N
MW303.69 g/mol
LogP5.11
Rot. Bonds3

About 3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 107363874) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID107363874
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC Name3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(Cl)cc(NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10ClF4N/c15-11-5-12(16)7-13(6-11)20-8-9-2-1-3-10(4-9)14(17,18)19/h1-7,20H,8H2
InChIKeyCUUAJIKMDOBXPR-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.69
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363910
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 116699138
4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 65025403
N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 81143843
4-iodo-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28878737
2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 62809900
3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
CID 107363892
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 65491991
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107620989

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (CID 107363874) is 3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is Fc1cc(Cl)cc(NCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is CUUAJIKMDOBXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c15-11-5-12(16)7-13(6-11)20-8-9-2-1-3-10(4-9)14(17,18)19/h1-7,20H,8H2.
What are the key properties of 3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 303.69 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 107363874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).