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

C14H10F5N — CID 63036121

IUPAC2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
SMILESFc1ccccc1CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H10F5N/c15-11-4-2-1-3-9(11)8-20-13-7-10(14(17,18)19)5-6-12(13)16/h1-7,20H,8H2
InChIKeyGEDGRQAIIXJNBI-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.60
Rot. Bonds3

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

2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline (PubChem CID 63036121) has the molecular formula C14H10F5N and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
PubChem CID63036121
Molecular FormulaC14H10F5N
Molecular Weight287.23 g/mol
Exact Mass287.07
IUPAC Name2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
SMILESFc1ccccc1CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H10F5N/c15-11-4-2-1-3-9(11)8-20-13-7-10(14(17,18)19)5-6-12(13)16/h1-7,20H,8H2
InChIKeyGEDGRQAIIXJNBI-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

4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
CID 63463410
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 79032953
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 115982770
5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 43385725
N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463412
2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 43312527
N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63037190
N-[(3,4-dimethylphenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463408
2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline
CID 63462918
3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
CID 114318204
2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline
CID 63036318
N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63036832

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline (CID 63036121) is 2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline is Fc1ccccc1CNc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline?
The InChIKey is GEDGRQAIIXJNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N/c15-11-4-2-1-3-9(11)8-20-13-7-10(14(17,18)19)5-6-12(13)16/h1-7,20H,8H2.
What are the key properties of 2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline?
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)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-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63036121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).