[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine

C15H11F6NO — CID 172649997

IUPAC[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1OC(F)(F)F
InChIInChI=1S/C15H11F6NO/c16-14(17,18)12-4-1-9(2-5-12)10-3-6-13(11(7-10)8-22)23-15(19,20)21/h1-7H,8,22H2
InChIKeyKMRYMQRIWJUSLS-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.73
Rot. Bonds3

About [2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine

[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine (PubChem CID 172649997) has the molecular formula C15H11F6NO and a molecular weight of 335.25 g/mol. Its IUPAC name is [2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
PubChem CID172649997
Molecular FormulaC15H11F6NO
Molecular Weight335.25 g/mol
Exact Mass335.07
IUPAC Name[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1OC(F)(F)F
InChIInChI=1S/C15H11F6NO/c16-14(17,18)12-4-1-9(2-5-12)10-3-6-13(11(7-10)8-22)23-15(19,20)21/h1-7H,8,22H2
InChIKeyKMRYMQRIWJUSLS-UHFFFAOYSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172650045
[5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
CID 172649980
[5-(3-fluoro-2-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
CID 172649966
[5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 172654217
[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43153637
[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
CID 171037282
2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol
CID 43153652
[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804270
2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid
CID 170999461
[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine
CID 107289743
[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 107694821
2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 81288373

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
The IUPAC name of [2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine (CID 172649997) is [2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine is NCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1OC(F)(F)F.
What is the InChIKey of [2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
The InChIKey is KMRYMQRIWJUSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO/c16-14(17,18)12-4-1-9(2-5-12)10-3-6-13(11(7-10)8-22)23-15(19,20)21/h1-7H,8,22H2.
What are the key properties of [2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine has a molecular weight of 335.25 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 172649997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).