1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine

C9H10F4N2O — CID 77402493

IUPAC1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
SMILESCC(N)c1ncc(OCC(F)(F)F)cc1F
InChIInChI=1S/C9H10F4N2O/c1-5(14)8-7(10)2-6(3-15-8)16-4-9(11,12)13/h2-3,5H,4,14H2,1H3
InChIKeyRVPAHWHRRNQNGK-UHFFFAOYSA-N
MW238.18 g/mol
LogP2.18
Rot. Bonds3

About 1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine

1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine (PubChem CID 77402493) has the molecular formula C9H10F4N2O and a molecular weight of 238.18 g/mol. Its IUPAC name is 1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
PubChem CID77402493
Molecular FormulaC9H10F4N2O
Molecular Weight238.18 g/mol
Exact Mass238.07
IUPAC Name1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
SMILESCC(N)c1ncc(OCC(F)(F)F)cc1F
InChIInChI=1S/C9H10F4N2O/c1-5(14)8-7(10)2-6(3-15-8)16-4-9(11,12)13/h2-3,5H,4,14H2,1H3
InChIKeyRVPAHWHRRNQNGK-UHFFFAOYSA-N
XLogP2.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
CID 67289741
(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
CID 118497748
2-chloro-3-fluoro-5-(2,2,2-trifluoroethoxy)pyridine
CID 90315362
1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine
CID 133060048
(1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine
CID 74787967
[(1R)-1-[3-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]azanide
CID 154301038
1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine
CID 112584686
1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 58629100
N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 169237349
2-(bromomethyl)-1,3-difluoro-5-(2,2,2-trifluoroethoxy)benzene
CID 118975363
1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 60907315
1-[5-ethoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 67509906

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine (CID 77402493) is 1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine is CC(N)c1ncc(OCC(F)(F)F)cc1F.
What is the InChIKey of 1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine?
The InChIKey is RVPAHWHRRNQNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O/c1-5(14)8-7(10)2-6(3-15-8)16-4-9(11,12)13/h2-3,5H,4,14H2,1H3.
What are the key properties of 1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine?
1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine has a molecular weight of 238.18 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 77402493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).