N,N,2,3-tetrakis(trifluoromethyl)aniline

C10H3F12N — CID 141091771

IUPACN,N,2,3-tetrakis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(N(C(F)(F)F)C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H3F12N/c11-7(12,13)4-2-1-3-5(6(4)8(14,15)16)23(9(17,18)19)10(20,21)22/h1-3H
InChIKeyGWRPWCOKONAXES-UHFFFAOYSA-N
MW365.12 g/mol
LogP5.57
Rot. Bonds1

About N,N,2,3-tetrakis(trifluoromethyl)aniline

N,N,2,3-tetrakis(trifluoromethyl)aniline (PubChem CID 141091771) has the molecular formula C10H3F12N and a molecular weight of 365.12 g/mol. Its IUPAC name is N,N,2,3-tetrakis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN,N,2,3-tetrakis(trifluoromethyl)aniline
PubChem CID141091771
Molecular FormulaC10H3F12N
Molecular Weight365.12 g/mol
Exact Mass365.01
IUPAC NameN,N,2,3-tetrakis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(N(C(F)(F)F)C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H3F12N/c11-7(12,13)4-2-1-3-5(6(4)8(14,15)16)23(9(17,18)19)10(20,21)22/h1-3H
InChIKeyGWRPWCOKONAXES-UHFFFAOYSA-N
XLogP5.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.12
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N,2,3-tetrakis(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N,3,4-tetrakis(trifluoromethyl)benzene-1,2-diamine
CID 91400808
2,3-bis(trifluoromethyl)benzenethiol;hydrochloride;tetrahydrofluoride
CID 173469139
N-chloro-N,2-bis(trifluoromethyl)aniline
CID 88613583
1-[difluoro(phenyl)methyl]-2,3-bis(trifluoromethyl)benzene
CID 174983353
N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline
CID 118813099
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1-cyclopropyl-2,3-bis(trifluoromethyl)benzene
CID 175858113
1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol
CID 139965745
3-[2,3-bis(trifluoromethyl)phenyl]furan
CID 141204161
2,3-bis(trifluoromethyl)benzenesulfonyl chloride
CID 19430547
4-[2,3-bis(trifluoromethyl)phenyl]benzoic acid
CID 87400968
N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine
CID 58113742

Frequently Asked Questions

What is the IUPAC name of N,N,2,3-tetrakis(trifluoromethyl)aniline?
The IUPAC name of N,N,2,3-tetrakis(trifluoromethyl)aniline (CID 141091771) is N,N,2,3-tetrakis(trifluoromethyl)aniline.
What is the SMILES notation for N,N,2,3-tetrakis(trifluoromethyl)aniline?
The canonical SMILES for N,N,2,3-tetrakis(trifluoromethyl)aniline is FC(F)(F)c1cccc(N(C(F)(F)F)C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of N,N,2,3-tetrakis(trifluoromethyl)aniline?
The InChIKey is GWRPWCOKONAXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F12N/c11-7(12,13)4-2-1-3-5(6(4)8(14,15)16)23(9(17,18)19)10(20,21)22/h1-3H.
What are the key properties of N,N,2,3-tetrakis(trifluoromethyl)aniline?
N,N,2,3-tetrakis(trifluoromethyl)aniline has a molecular weight of 365.12 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,3-tetrakis(trifluoromethyl)aniline is sourced from PubChem (CID 141091771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).