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

C14H10ClF4N — CID 43385725

IUPAC5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1ccc(Cl)cc1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H10ClF4N/c15-10-5-6-12(16)13(7-10)20-8-9-3-1-2-4-11(9)14(17,18)19/h1-7,20H,8H2
InChIKeyFSSJQXBHXPVJKR-UHFFFAOYSA-N
MW303.69 g/mol
LogP5.11
Rot. Bonds3

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

5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 43385725) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID43385725
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC Name5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1ccc(Cl)cc1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H10ClF4N/c15-10-5-6-12(16)13(7-10)20-8-9-3-1-2-4-11(9)14(17,18)19/h1-7,20H,8H2
InChIKeyFSSJQXBHXPVJKR-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

5-chloro-N-[(2-chlorophenyl)methyl]-2-fluoroaniline
CID 43385670
4-chloro-5-fluoro-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CID 66078811
2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 61075903
1-(3-chloro-4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60615965
2-chloro-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 107630492
N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 66385827
2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 43433530
4-chloro-N-[(2-methylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 29045449
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121
N-[(3,5-dichlorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048756
4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CID 103590333
5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline
CID 55198647

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline (CID 43385725) is 5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline is Fc1ccc(Cl)cc1NCc1ccccc1C(F)(F)F.
What is the InChIKey of 5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is FSSJQXBHXPVJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c15-10-5-6-12(16)13(7-10)20-8-9-3-1-2-4-11(9)14(17,18)19/h1-7,20H,8H2.
What are the key properties of 5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
5-chloro-2-fluoro-N-[[2-(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 5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 43385725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).