[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine

C13H10F4N2O — CID 102746859

IUPAC[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine
SMILESNCc1ccncc1Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H10F4N2O/c14-11-2-1-9(5-10(11)13(15,16)17)20-12-7-19-4-3-8(12)6-18/h1-5,7H,6,18H2
InChIKeyIQLUCCRPHAYTAC-UHFFFAOYSA-N
MW286.23 g/mol
LogP3.49
Rot. Bonds3

About [3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine

[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine (PubChem CID 102746859) has the molecular formula C13H10F4N2O and a molecular weight of 286.23 g/mol. Its IUPAC name is [3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine
PubChem CID102746859
Molecular FormulaC13H10F4N2O
Molecular Weight286.23 g/mol
Exact Mass286.07
IUPAC Name[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine
SMILESNCc1ccncc1Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H10F4N2O/c14-11-2-1-9(5-10(11)13(15,16)17)20-12-7-19-4-3-8(12)6-18/h1-5,7H,6,18H2
InChIKeyIQLUCCRPHAYTAC-UHFFFAOYSA-N
XLogP3.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 102747358
1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine
CID 102747370
3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
CID 102747205
[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 59112975
[4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 43528649
3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine
CID 102747092
4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747282
[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 43138655
[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
CID 113443511
[3-(4-butylphenoxy)-4-pyridinyl]methanamine
CID 115492198
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol
CID 105067210

Frequently Asked Questions

What is the IUPAC name of [3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine?
The IUPAC name of [3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine (CID 102746859) is [3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine.
What is the SMILES notation for [3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine?
The canonical SMILES for [3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine is NCc1ccncc1Oc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of [3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine?
The InChIKey is IQLUCCRPHAYTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O/c14-11-2-1-9(5-10(11)13(15,16)17)20-12-7-19-4-3-8(12)6-18/h1-5,7H,6,18H2.
What are the key properties of [3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine?
[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine has a molecular weight of 286.23 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 102746859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).