3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline

C14H10ClF4N — CID 107365097

IUPAC3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline
SMILESFc1cc(Cl)cc(NC(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C14H10ClF4N/c15-10-6-11(16)8-12(7-10)20-13(14(17,18)19)9-4-2-1-3-5-9/h1-8,13,20H
InChIKeySCSUKYBARQQTMA-UHFFFAOYSA-N
MW303.69 g/mol
LogP5.19
Rot. Bonds3

About 3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline

3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline (PubChem CID 107365097) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline
PubChem CID107365097
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC Name3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline
SMILESFc1cc(Cl)cc(NC(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C14H10ClF4N/c15-10-6-11(16)8-12(7-10)20-13(14(17,18)19)9-4-2-1-3-5-9/h1-8,13,20H
InChIKeySCSUKYBARQQTMA-UHFFFAOYSA-N
XLogP5.19
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 ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline
CID 81270264
3-(3-chloro-5-fluoroanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 107366782
4-[(2,2,2-trifluoro-1-phenylethyl)amino]benzoic acid
CID 132516842
N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107364593
3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline
CID 15310332
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
3-chloro-5-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113347242
3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide
CID 107811192
N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 107364606
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107363878
2-(3-chloro-5-fluoroanilino)propanoic acid
CID 107363833
N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861058

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline?
The IUPAC name of 3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline (CID 107365097) is 3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline is Fc1cc(Cl)cc(NC(c2ccccc2)C(F)(F)F)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline?
The InChIKey is SCSUKYBARQQTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c15-10-6-11(16)8-12(7-10)20-13(14(17,18)19)9-4-2-1-3-5-9/h1-8,13,20H.
What are the key properties of 3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline?
3-chloro-5-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)aniline has a molecular weight of 303.69 g/mol, XLogP of 5.19, 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-(2,2,2-trifluoro-1-phenylethyl)aniline is sourced from PubChem (CID 107365097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).