[2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine

C14H11F4NO — CID 134631493

IUPAC[2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESNCc1c(F)cccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H11F4NO/c15-12-6-3-5-9(11(12)8-19)10-4-1-2-7-13(10)20-14(16,17)18/h1-7H,8,19H2
InChIKeyGBGJBVYLXHMLHF-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.85
Rot. Bonds3

About [2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine

[2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine (PubChem CID 134631493) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is [2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
PubChem CID134631493
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name[2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESNCc1c(F)cccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H11F4NO/c15-12-6-3-5-9(11(12)8-19)10-4-1-2-7-13(10)20-14(16,17)18/h1-7H,8,19H2
InChIKeyGBGJBVYLXHMLHF-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
CID 22617307
2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119022722
2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene
CID 131169258
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
4-fluoro-3-[2-(trifluoromethoxy)phenyl]aniline
CID 112694311
1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene
CID 134631115
2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid
CID 118990950
3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline
CID 89422799
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine (CID 134631493) is [2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine is NCc1c(F)cccc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of [2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine?
The InChIKey is GBGJBVYLXHMLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-12-6-3-5-9(11(12)8-19)10-4-1-2-7-13(10)20-14(16,17)18/h1-7H,8,19H2.
What are the key properties of [2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine?
[2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine has a molecular weight of 285.24 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine is sourced from PubChem (CID 134631493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).