[3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine

C15H13F4NO — CID 115952103

IUPAC[3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
SMILESNCc1cccc(F)c1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13F4NO/c16-13-6-2-4-11(8-20)14(13)21-9-10-3-1-5-12(7-10)15(17,18)19/h1-7H,8-9,20H2
InChIKeyQIKHHXNZBKJGAY-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.88
Rot. Bonds4

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

[3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine (PubChem CID 115952103) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is [3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
PubChem CID115952103
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name[3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
SMILESNCc1cccc(F)c1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13F4NO/c16-13-6-2-4-11(8-20)14(13)21-9-10-3-1-5-12(7-10)15(17,18)19/h1-7H,8-9,20H2
InChIKeyQIKHHXNZBKJGAY-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-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067
[3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 112608169
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631
2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 112615255
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 81270028
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
[3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine
CID 116615174
2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 102132722

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The IUPAC name of [3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine (CID 115952103) is [3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The canonical SMILES for [3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine is NCc1cccc(F)c1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The InChIKey is QIKHHXNZBKJGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-13-6-2-4-11(8-20)14(13)21-9-10-3-1-5-12(7-10)15(17,18)19/h1-7H,8-9,20H2.
What are the key properties of [3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
[3-fluoro-2-[[3-(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 [3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine is sourced from PubChem (CID 115952103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).