1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine

C9H14F2N2O — CID 146537518

IUPAC1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine
SMILESCC(N)[C@@H]1C=CC(OCC(F)F)=CN1
InChIInChI=1S/C9H14F2N2O/c1-6(12)8-3-2-7(4-13-8)14-5-9(10)11/h2-4,6,8-9,13H,5,12H2,1H3/t6?,8-/m0/s1
InChIKeyOVSVGABMRFHDAW-XDKWHASVSA-N
MW204.22 g/mol
LogP0.98
Rot. Bonds4

About 1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine

1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine (PubChem CID 146537518) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine
PubChem CID146537518
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine
SMILESCC(N)[C@@H]1C=CC(OCC(F)F)=CN1
InChIInChI=1S/C9H14F2N2O/c1-6(12)8-3-2-7(4-13-8)14-5-9(10)11/h2-4,6,8-9,13H,5,12H2,1H3/t6?,8-/m0/s1
InChIKeyOVSVGABMRFHDAW-XDKWHASVSA-N
XLogP0.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,2-Difluoropropoxy)-1,2-dihydropyridin-6-yl]ethanamine
CID 124095458
4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine
CID 134365782
(1S)-1-[5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine
CID 146537712
(1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine
CID 146538107
2-Propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine
CID 169163178
N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 149496642
2-Methanidyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-1-ium
CID 162557057
2-Methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine
CID 162557058

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine?
The IUPAC name of 1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine (CID 146537518) is 1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine.
What is the SMILES notation for 1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine?
The canonical SMILES for 1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine is CC(N)[C@@H]1C=CC(OCC(F)F)=CN1.
What is the InChIKey of 1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine?
The InChIKey is OVSVGABMRFHDAW-XDKWHASVSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-6(12)8-3-2-7(4-13-8)14-5-9(10)11/h2-4,6,8-9,13H,5,12H2,1H3/t6?,8-/m0/s1.
What are the key properties of 1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine?
1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine has a molecular weight of 204.22 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-5-(2,2-difluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine is sourced from PubChem (CID 146537518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).