[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine

C14H11F4NO — CID 63673150

IUPAC[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
SMILESNCc1cc(F)ccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F4NO/c15-11-4-5-13(9(6-11)8-19)20-12-3-1-2-10(7-12)14(16,17)18/h1-7H,8,19H2
InChIKeyIDURUAHAFPWTOO-UHFFFAOYSA-N
MW285.24 g/mol
LogP4.10
Rot. Bonds3

About [5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine

[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine (PubChem CID 63673150) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is [5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
PubChem CID63673150
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
SMILESNCc1cc(F)ccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F4NO/c15-11-4-5-13(9(6-11)8-19)20-12-3-1-2-10(7-12)14(16,17)18/h1-7H,8,19H2
InChIKeyIDURUAHAFPWTOO-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
[2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43331214
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 3700252
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine
CID 22142155
[2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43528602
[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 107694821
[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride
CID 22142154
[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine
CID 43314084
[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
CID 43314193
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine (CID 63673150) is [5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine is NCc1cc(F)ccc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of [5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine?
The InChIKey is IDURUAHAFPWTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-11-4-5-13(9(6-11)8-19)20-12-3-1-2-10(7-12)14(16,17)18/h1-7H,8,19H2.
What are the key properties of [5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine?
[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine has a molecular weight of 285.24 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine is sourced from PubChem (CID 63673150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).