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

C14H10ClF4N — CID 43425410

IUPAC4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(Cl)ccc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10ClF4N/c15-11-5-6-13(12(16)7-11)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2
InChIKeyOFUJFTYENVHFOR-UHFFFAOYSA-N
MW303.69 g/mol
LogP5.11
Rot. Bonds3

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

4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 43425410) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID43425410
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC Name4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(Cl)ccc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10ClF4N/c15-11-5-6-13(12(16)7-11)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2
InChIKeyOFUJFTYENVHFOR-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

2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 62815004
4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
N-benzyl-2-fluoro-4-(trifluoromethyl)aniline
CID 103636039
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 60789911
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
[4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115969616
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645041
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879315
4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline
CID 55026237
N-[(3-bromo-4-chlorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 83236223

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (CID 43425410) is 4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is Fc1cc(Cl)ccc1NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is OFUJFTYENVHFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c15-11-5-6-13(12(16)7-11)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2.
What are the key properties of 4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
4-chloro-2-fluoro-N-[[4-(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 4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 43425410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).