N-phenyl-3,5-bis(trifluoromethyl)aniline

C14H9F6N — CID 5198217

IUPACN-phenyl-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Nc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H9F6N/c15-13(16,17)9-6-10(14(18,19)20)8-12(7-9)21-11-4-2-1-3-5-11/h1-8,21H
InChIKeyMBHKTLILAXTGER-UHFFFAOYSA-N
MW305.22 g/mol
LogP5.47
Rot. Bonds2

About N-phenyl-3,5-bis(trifluoromethyl)aniline

N-phenyl-3,5-bis(trifluoromethyl)aniline (PubChem CID 5198217) has the molecular formula C14H9F6N and a molecular weight of 305.22 g/mol. Its IUPAC name is N-phenyl-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-phenyl-3,5-bis(trifluoromethyl)aniline
PubChem CID5198217
Molecular FormulaC14H9F6N
Molecular Weight305.22 g/mol
Exact Mass305.06
IUPAC NameN-phenyl-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Nc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H9F6N/c15-13(16,17)9-6-10(14(18,19)20)8-12(7-9)21-11-4-2-1-3-5-11/h1-8,21H
InChIKeyMBHKTLILAXTGER-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.22
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenz(b,f)azepine
CID 9212
Iminodibenyl
CID 10308
Benzenamine, 3,5-bis(trifluoromethyl)-
CID 9480
N-(3-Methylphenyl)aniline
CID 14569
N-Phenyl-p-toluidine
CID 12109
Benzylaniline
CID 66028
Benzenamine, 4-methyl-N-(4-methylphenyl)-
CID 69293
N-(3-Methylphenyl)benzenemethanamine
CID 222281
3',5'-Bis(trifluoromethyl)acetanilide
CID 723600
1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea
CID 478241
3-(Trifluoromethyl)-N-phenylaniline
CID 7548
N1-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of N-phenyl-3,5-bis(trifluoromethyl)aniline (CID 5198217) is N-phenyl-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-phenyl-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for N-phenyl-3,5-bis(trifluoromethyl)aniline is FC(F)(F)c1cc(Nc2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of N-phenyl-3,5-bis(trifluoromethyl)aniline?
The InChIKey is MBHKTLILAXTGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N/c15-13(16,17)9-6-10(14(18,19)20)8-12(7-9)21-11-4-2-1-3-5-11/h1-8,21H.
What are the key properties of N-phenyl-3,5-bis(trifluoromethyl)aniline?
N-phenyl-3,5-bis(trifluoromethyl)aniline has a molecular weight of 305.22 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 5198217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).