N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline

C20H13F6N — CID 142703833

IUPACN-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(-c2cccc(Nc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C20H13F6N/c21-19(22,23)15-9-7-13(8-10-15)14-3-1-5-17(11-14)27-18-6-2-4-16(12-18)20(24,25)26/h1-12,27H
InChIKeyHNRYNVKTSMKLNK-UHFFFAOYSA-N
MW381.32 g/mol
LogP7.13
Rot. Bonds3

About N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline

N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 142703833) has the molecular formula C20H13F6N and a molecular weight of 381.32 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline
PubChem CID142703833
Molecular FormulaC20H13F6N
Molecular Weight381.32 g/mol
Exact Mass381.10
IUPAC NameN-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(-c2cccc(Nc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C20H13F6N/c21-19(22,23)15-9-7-13(8-10-15)14-3-1-5-17(11-14)27-18-6-2-4-16(12-18)20(24,25)26/h1-12,27H
InChIKeyHNRYNVKTSMKLNK-UHFFFAOYSA-N
XLogP7.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.32
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(sulfinoamino)-3-[4-(trifluoromethyl)phenyl]benzene
CID 69476059
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]aniline
CID 175184749
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
CID 10126715
4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine
CID 156506665
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149
3-nitro-N-[4-(trifluoromethyl)phenyl]aniline
CID 142848101

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline (CID 142703833) is N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline is FC(F)(F)c1ccc(-c2cccc(Nc3cccc(C(F)(F)F)c3)c2)cc1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is HNRYNVKTSMKLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N/c21-19(22,23)15-9-7-13(8-10-15)14-3-1-5-17(11-14)27-18-6-2-4-16(12-18)20(24,25)26/h1-12,27H.
What are the key properties of N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline?
N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 381.32 g/mol, XLogP of 7.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 142703833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).