[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine

C15H13F4NO — CID 107694821

IUPAC[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
SMILESNCc1cc(F)ccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO/c16-13-5-6-14(11(7-13)8-20)21-9-10-1-3-12(4-2-10)15(17,18)19/h1-7H,8-9,20H2
InChIKeySUPOFXZCAFHLIK-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.88
Rot. Bonds4

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

[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine (PubChem CID 107694821) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is [5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
PubChem CID107694821
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
SMILESNCc1cc(F)ccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO/c16-13-5-6-14(11(7-13)8-20)21-9-10-1-3-12(4-2-10)15(17,18)19/h1-7H,8-9,20H2
InChIKeySUPOFXZCAFHLIK-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.88
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-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine
CID 107694802
[2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107695003
ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene
CID 143034150
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43153637
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
[5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine
CID 28981703
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 63673150
[2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 102723774
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine (CID 107694821) is [5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine is NCc1cc(F)ccc1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The InChIKey is SUPOFXZCAFHLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-13-5-6-14(11(7-13)8-20)21-9-10-1-3-12(4-2-10)15(17,18)19/h1-7H,8-9,20H2.
What are the key properties of [5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine has a molecular weight of 299.27 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine is sourced from PubChem (CID 107694821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).