N,N-bis(trifluoromethylamino)aniline

C8H7F6N3 — CID 19102264

IUPACN,N-bis(trifluoromethylamino)aniline
SMILESFC(F)(F)NN(NC(F)(F)F)c1ccccc1
InChIInChI=1S/C8H7F6N3/c9-7(10,11)15-17(16-8(12,13)14)6-4-2-1-3-5-6/h1-5,15-16H
InChIKeyNAVTYHLLSNYZAS-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.54
Rot. Bonds3

About N,N-bis(trifluoromethylamino)aniline

N,N-bis(trifluoromethylamino)aniline (PubChem CID 19102264) has the molecular formula C8H7F6N3 and a molecular weight of 259.15 g/mol. Its IUPAC name is N,N-bis(trifluoromethylamino)aniline.

Molecular Properties

Compound NameN,N-bis(trifluoromethylamino)aniline
PubChem CID19102264
Molecular FormulaC8H7F6N3
Molecular Weight259.15 g/mol
Exact Mass259.05
IUPAC NameN,N-bis(trifluoromethylamino)aniline
SMILESFC(F)(F)NN(NC(F)(F)F)c1ccccc1
InChIInChI=1S/C8H7F6N3/c9-7(10,11)15-17(16-8(12,13)14)6-4-2-1-3-5-6/h1-5,15-16H
InChIKeyNAVTYHLLSNYZAS-UHFFFAOYSA-N
XLogP2.54
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-1,2-bis(trifluoromethyl)hydrazine
CID 87550467
(N-(2,2-diphenylhydrazinyl)anilino)benzene
CID 91743548
N-iodo-N-(trifluoromethyl)aniline
CID 139392066
N-chloro-N-(trifluoromethyl)aniline
CID 87317257
2-fluoro-N',2-dimethyl-N'-phenylpropane-1,3-diamine
CID 105450124
1,1,1,3,3,3-hexafluoro-2-N,2-N'-dimethyl-2-N,2-N'-diphenylpropane-2,2-diamine
CID 161199121
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methylaniline
CID 158801377
N,N-diphenylaniline;2,2,2-trifluoroacetic acid
CID 162535406
4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
CID 126517232
3-fluoro-3-methyl-4-phenylbutan-1-amine
CID 83855362
N-phenyl-N-(trifluoromethylcarbamoyl)benzamide
CID 70182203
CID 69241188
CID 69241188

Frequently Asked Questions

What is the IUPAC name of N,N-bis(trifluoromethylamino)aniline?
The IUPAC name of N,N-bis(trifluoromethylamino)aniline (CID 19102264) is N,N-bis(trifluoromethylamino)aniline.
What is the SMILES notation for N,N-bis(trifluoromethylamino)aniline?
The canonical SMILES for N,N-bis(trifluoromethylamino)aniline is FC(F)(F)NN(NC(F)(F)F)c1ccccc1.
What is the InChIKey of N,N-bis(trifluoromethylamino)aniline?
The InChIKey is NAVTYHLLSNYZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3/c9-7(10,11)15-17(16-8(12,13)14)6-4-2-1-3-5-6/h1-5,15-16H.
What are the key properties of N,N-bis(trifluoromethylamino)aniline?
N,N-bis(trifluoromethylamino)aniline has a molecular weight of 259.15 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(trifluoromethylamino)aniline is sourced from PubChem (CID 19102264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).