[3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine

C16H10F9N — CID 118342936

IUPAC[3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H10F9N/c17-14(18,19)11-2-8(7-26)1-9(3-11)10-4-12(15(20,21)22)6-13(5-10)16(23,24)25/h1-6H,7,26H2
InChIKeyWIFQEJQNBQFUKB-UHFFFAOYSA-N
MW387.25 g/mol
LogP5.87
Rot. Bonds2

About [3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine

[3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 118342936) has the molecular formula C16H10F9N and a molecular weight of 387.25 g/mol. Its IUPAC name is [3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine
PubChem CID118342936
Molecular FormulaC16H10F9N
Molecular Weight387.25 g/mol
Exact Mass387.07
IUPAC Name[3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H10F9N/c17-14(18,19)11-2-8(7-26)1-9(3-11)10-4-12(15(20,21)22)6-13(5-10)16(23,24)25/h1-6H,7,26H2
InChIKeyWIFQEJQNBQFUKB-UHFFFAOYSA-N
XLogP5.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.25
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612413
[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
CID 156612410
[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612409
[3-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 90938835
[3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612416
[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 129154957
[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 166611051
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
[3-ethylsulfonyl-5-(trifluoromethyl)phenyl]methanamine
CID 112594413
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
1-prop-2-ynyl-3,5-bis(trifluoromethyl)benzene
CID 91263123
3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 71678762

Frequently Asked Questions

What is the IUPAC name of [3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine (CID 118342936) is [3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine is NCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of [3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WIFQEJQNBQFUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F9N/c17-14(18,19)11-2-8(7-26)1-9(3-11)10-4-12(15(20,21)22)6-13(5-10)16(23,24)25/h1-6H,7,26H2.
What are the key properties of [3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine?
[3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 387.25 g/mol, XLogP of 5.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 118342936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).