1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone

C11H14F2N2O2 — CID 107480460

IUPAC1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone
SMILESCC(=O)c1ccnc(N(CCO)CC(F)F)c1
InChIInChI=1S/C11H14F2N2O2/c1-8(17)9-2-3-14-11(6-9)15(4-5-16)7-10(12)13/h2-3,6,10,16H,4-5,7H2,1H3
InChIKeyLJKPGPGZVGJICN-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.35
Rot. Bonds6

About 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone

1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone (PubChem CID 107480460) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone
PubChem CID107480460
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone
SMILESCC(=O)c1ccnc(N(CCO)CC(F)F)c1
InChIInChI=1S/C11H14F2N2O2/c1-8(17)9-2-3-14-11(6-9)15(4-5-16)7-10(12)13/h2-3,6,10,16H,4-5,7H2,1H3
InChIKeyLJKPGPGZVGJICN-UHFFFAOYSA-N
XLogP1.35
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone
CID 82950852
2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 107495109
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine
CID 107489921
2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide
CID 60981724
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,5-difluorobenzoic acid
CID 107480412
2-[2,2-difluoroethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107481030
2-[(5-aminopyrazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495031
2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107484125
2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107542342
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 107486289
2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107478418
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 107486059

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone?
The IUPAC name of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone (CID 107480460) is 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone is CC(=O)c1ccnc(N(CCO)CC(F)F)c1.
What is the InChIKey of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone?
The InChIKey is LJKPGPGZVGJICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-8(17)9-2-3-14-11(6-9)15(4-5-16)7-10(12)13/h2-3,6,10,16H,4-5,7H2,1H3.
What are the key properties of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone?
1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone has a molecular weight of 244.24 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone is sourced from PubChem (CID 107480460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).