2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol

C10H14F2N2O — CID 104860444

IUPAC2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol
SMILESCC(NCC(F)(F)CO)c1ccccn1
InChIInChI=1S/C10H14F2N2O/c1-8(9-4-2-3-5-13-9)14-6-10(11,12)7-15/h2-5,8,14-15H,6-7H2,1H3
InChIKeyBNUFIOBTWSXIOI-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.36
Rot. Bonds5

About 2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol

2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol (PubChem CID 104860444) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol
PubChem CID104860444
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol
SMILESCC(NCC(F)(F)CO)c1ccccn1
InChIInChI=1S/C10H14F2N2O/c1-8(9-4-2-3-5-13-9)14-6-10(11,12)7-15/h2-5,8,14-15H,6-7H2,1H3
InChIKeyBNUFIOBTWSXIOI-UHFFFAOYSA-N
XLogP1.36
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104893387
2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 104860557
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 81407500
2-N,2-N,2-trimethyl-1-N-(1-pyridin-2-ylethyl)propane-1,2-diamine
CID 43203109
2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 114941166
1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol
CID 103904295
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol (CID 104860444) is 2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol is CC(NCC(F)(F)CO)c1ccccn1.
What is the InChIKey of 2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol?
The InChIKey is BNUFIOBTWSXIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-8(9-4-2-3-5-13-9)14-6-10(11,12)7-15/h2-5,8,14-15H,6-7H2,1H3.
What are the key properties of 2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol?
2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol has a molecular weight of 216.23 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol is sourced from PubChem (CID 104860444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).