ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline

C16H15F6N — CID 144664157

IUPACethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCC.FC(F)(F)c1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H9F6N.C2H6/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;1-2/h1-8,21H;1-2H3
InChIKeyXRAFYZPHAXDFRY-UHFFFAOYSA-N
MW335.29 g/mol
LogP6.49
Rot. Bonds2

About ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline

ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 144664157) has the molecular formula C16H15F6N and a molecular weight of 335.29 g/mol. Its IUPAC name is ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Nameethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID144664157
Molecular FormulaC16H15F6N
Molecular Weight335.29 g/mol
Exact Mass335.11
IUPAC Nameethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCC.FC(F)(F)c1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H9F6N.C2H6/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;1-2/h1-8,21H;1-2H3
InChIKeyXRAFYZPHAXDFRY-UHFFFAOYSA-N
XLogP6.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.29
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 154659659
6-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 129133333
3-(methylamino)-4-[4-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 164680866
2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 63670108
2-methyl-4-[4-(trifluoromethyl)anilino]benzoic acid
CID 63499677
N-[4-(3-chloropropoxy)phenyl]-4-(trifluoromethyl)aniline
CID 23393376
N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine
CID 171115396
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 10657722
6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80760168
2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 91021616
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
CID 23393373

Frequently Asked Questions

What is the IUPAC name of ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline (CID 144664157) is ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline is CC.FC(F)(F)c1ccc(Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is XRAFYZPHAXDFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N.C2H6/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;1-2/h1-8,21H;1-2H3.
What are the key properties of ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline?
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 335.29 g/mol, XLogP of 6.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 144664157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).