2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine

C16H13F6NO2 — CID 162318731

IUPAC2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1ccccc1-c1ccccc1C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H12F3N.C2HF3O2/c15-14(16,17)13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-18;3-2(4,5)1(6)7/h1-8H,9,18H2;(H,6,7)
InChIKeyJUZSEYLWKOXGFU-UHFFFAOYSA-N
MW365.27 g/mol
LogP4.46
Rot. Bonds2

About 2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine

2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine (PubChem CID 162318731) has the molecular formula C16H13F6NO2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
PubChem CID162318731
Molecular FormulaC16H13F6NO2
Molecular Weight365.27 g/mol
Exact Mass365.09
IUPAC Name2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1ccccc1-c1ccccc1C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H12F3N.C2HF3O2/c15-14(16,17)13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-18;3-2(4,5)1(6)7/h1-8H,9,18H2;(H,6,7)
InChIKeyJUZSEYLWKOXGFU-UHFFFAOYSA-N
XLogP4.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631455
[3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631566
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
[2-phenyl-3-(trifluoromethyl)phenyl]methanamine
CID 46315138
2-amino-2-[2-(aminomethyl)phenyl]propanoic acid
CID 18975915
[2-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]methanamine
CID 46313291
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[[2-(trifluoromethyl)phenyl]methyl]propanoic acid
CID 151721030
[2-chloro-3-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 119001005
[2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid
CID 69312353
4-(aminomethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 115059867

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine?
The IUPAC name of 2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine (CID 162318731) is 2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine?
The canonical SMILES for 2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine is NCc1ccccc1-c1ccccc1C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine?
The InChIKey is JUZSEYLWKOXGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N.C2HF3O2/c15-14(16,17)13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-18;3-2(4,5)1(6)7/h1-8H,9,18H2;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine?
2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine has a molecular weight of 365.27 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 162318731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).