2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

C14H10F5N — CID 29274559

IUPAC2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1ccc(F)c(NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F5N/c15-11-5-6-12(16)13(7-11)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2
InChIKeyNWRSEWFXKXYIIO-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.60
Rot. Bonds3

About 2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 29274559) has the molecular formula C14H10F5N and a molecular weight of 287.23 g/mol. Its IUPAC name is 2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID29274559
Molecular FormulaC14H10F5N
Molecular Weight287.23 g/mol
Exact Mass287.07
IUPAC Name2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1ccc(F)c(NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F5N/c15-11-5-6-12(16)13(7-11)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2
InChIKeyNWRSEWFXKXYIIO-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.60
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-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29299136
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline
CID 115213122
[4-[(2,5-difluoroanilino)methyl]phenyl]methanol
CID 110006440
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
4-[(2,5-difluoroanilino)methyl]benzoic acid
CID 55049553
N-[(3,4-dimethylphenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463408
2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline
CID 28574524
2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 27305807
N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463412
2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 83078179
N-benzyl-2-fluoro-4-(trifluoromethyl)aniline
CID 103636039

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (CID 29274559) is 2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is Fc1ccc(F)c(NCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is NWRSEWFXKXYIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N/c15-11-5-6-12(16)13(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 2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 287.23 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 29274559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).