N-benzyl-2-fluoro-4-(trifluoromethyl)aniline

C14H11F4N — CID 103636039

IUPACN-benzyl-2-fluoro-4-(trifluoromethyl)aniline
SMILESFc1cc(C(F)(F)F)ccc1NCc1ccccc1
InChIInChI=1S/C14H11F4N/c15-12-8-11(14(16,17)18)6-7-13(12)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyFDZPFNIZFPYKKP-UHFFFAOYSA-N
MW269.24 g/mol
LogP4.46
Rot. Bonds3

About N-benzyl-2-fluoro-4-(trifluoromethyl)aniline

N-benzyl-2-fluoro-4-(trifluoromethyl)aniline (PubChem CID 103636039) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is N-benzyl-2-fluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-benzyl-2-fluoro-4-(trifluoromethyl)aniline
PubChem CID103636039
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC NameN-benzyl-2-fluoro-4-(trifluoromethyl)aniline
SMILESFc1cc(C(F)(F)F)ccc1NCc1ccccc1
InChIInChI=1S/C14H11F4N/c15-12-8-11(14(16,17)18)6-7-13(12)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyFDZPFNIZFPYKKP-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
CID 107303372
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 62815004
4-(benzylamino)-3-fluorobenzoic acid
CID 62711973
2-(benzylamino)-4-(trifluoromethyl)benzonitrile
CID 155452882
3-[2-fluoro-4-(trifluoromethyl)anilino]propanoic acid
CID 107303235
2-(benzylamino)-5-[4-(trifluoromethyl)phenyl]benzonitrile
CID 69108068
N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463412
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 69011759
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
N-benzyl-4-bromo-2-(trifluoromethyl)aniline
CID 60792374

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-4-(trifluoromethyl)aniline?
The IUPAC name of N-benzyl-2-fluoro-4-(trifluoromethyl)aniline (CID 103636039) is N-benzyl-2-fluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-benzyl-2-fluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-benzyl-2-fluoro-4-(trifluoromethyl)aniline is Fc1cc(C(F)(F)F)ccc1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-fluoro-4-(trifluoromethyl)aniline?
The InChIKey is FDZPFNIZFPYKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c15-12-8-11(14(16,17)18)6-7-13(12)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2.
What are the key properties of N-benzyl-2-fluoro-4-(trifluoromethyl)aniline?
N-benzyl-2-fluoro-4-(trifluoromethyl)aniline has a molecular weight of 269.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 103636039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).