2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine

C9H12F2N2O — CID 87770733

IUPAC2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine
SMILESNCCc1ccc(OCC(F)F)nc1
InChIInChI=1S/C9H12F2N2O/c10-8(11)6-14-9-2-1-7(3-4-12)5-13-9/h1-2,5,8H,3-4,6,12H2
InChIKeyQHKHSMZWCHADIO-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.23
Rot. Bonds5

About 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine

2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine (PubChem CID 87770733) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine
PubChem CID87770733
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine
SMILESNCCc1ccc(OCC(F)F)nc1
InChIInChI=1S/C9H12F2N2O/c10-8(11)6-14-9-2-1-7(3-4-12)5-13-9/h1-2,5,8H,3-4,6,12H2
InChIKeyQHKHSMZWCHADIO-UHFFFAOYSA-N
XLogP1.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde
CID 118255814
5-chloro-2-(2,2-difluoroethoxy)pyridine
CID 82005471
2-[6-(trifluoromethoxy)-3-pyridinyl]ethanamine
CID 156817567
6-(2,2-difluoroethoxy)pyridine-3-carbothioamide
CID 82004872
2-(6-fluoro-3-pyridinyl)ethanamine
CID 55253622
[5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine
CID 82004607
3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine
CID 84783908
2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine
CID 80640422
6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82003968
2-[6-(2-propan-2-ylphenoxy)-3-pyridinyl]ethanamine
CID 80640158
2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine
CID 80640150
2-[6-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 80639711

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine (CID 87770733) is 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine is NCCc1ccc(OCC(F)F)nc1.
What is the InChIKey of 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine?
The InChIKey is QHKHSMZWCHADIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c10-8(11)6-14-9-2-1-7(3-4-12)5-13-9/h1-2,5,8H,3-4,6,12H2.
What are the key properties of 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine?
2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine has a molecular weight of 202.20 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 87770733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).