2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol

C12H12F2N2O — CID 104858613

IUPAC2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol
SMILESOCC(F)(F)CNc1ccc2ccccc2n1
InChIInChI=1S/C12H12F2N2O/c13-12(14,8-17)7-15-11-6-5-9-3-1-2-4-10(9)16-11/h1-6,17H,7-8H2,(H,15,16)
InChIKeyQSKHAIWAUNQIQF-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.27
Rot. Bonds4

About 2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol

2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol (PubChem CID 104858613) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol
PubChem CID104858613
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol
SMILESOCC(F)(F)CNc1ccc2ccccc2n1
InChIInChI=1S/C12H12F2N2O/c13-12(14,8-17)7-15-11-6-5-9-3-1-2-4-10(9)16-11/h1-6,17H,7-8H2,(H,15,16)
InChIKeyQSKHAIWAUNQIQF-UHFFFAOYSA-N
XLogP2.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-2-phenylpropyl)quinolin-2-amine
CID 63541485
3-[(6-amino-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 106174489
2,2-dimethyl-3-(quinolin-2-ylamino)propanamide
CID 113224831
3-(quinolin-2-ylamino)propan-1-ol
CID 581988
2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol
CID 106177968
3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 164647732
3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol
CID 106167469
2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol
CID 21424676
N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine
CID 113470456
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179314
4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol
CID 106350849
2-[3-(quinolin-2-ylamino)propoxy]ethanol
CID 103990474

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol (CID 104858613) is 2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol is OCC(F)(F)CNc1ccc2ccccc2n1.
What is the InChIKey of 2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol?
The InChIKey is QSKHAIWAUNQIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c13-12(14,8-17)7-15-11-6-5-9-3-1-2-4-10(9)16-11/h1-6,17H,7-8H2,(H,15,16).
What are the key properties of 2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol?
2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol has a molecular weight of 238.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol is sourced from PubChem (CID 104858613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).