1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol

C8H8ClF2NO — CID 104736200

IUPAC1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol
SMILESOC(Cc1cccnc1)C(F)(F)Cl
InChIInChI=1S/C8H8ClF2NO/c9-8(10,11)7(13)4-6-2-1-3-12-5-6/h1-3,5,7,13H,4H2
InChIKeyVMHFJZLEKCOVPL-UHFFFAOYSA-N
MW207.61 g/mol
LogP1.82
Rot. Bonds3

About 1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol

1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol (PubChem CID 104736200) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol
PubChem CID104736200
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol
SMILESOC(Cc1cccnc1)C(F)(F)Cl
InChIInChI=1S/C8H8ClF2NO/c9-8(10,11)7(13)4-6-2-1-3-12-5-6/h1-3,5,7,13H,4H2
InChIKeyVMHFJZLEKCOVPL-UHFFFAOYSA-N
XLogP1.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 113446917
3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 104736155
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol
CID 106972010
4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine
CID 104736235
1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 104735818
2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 104735698
3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol
CID 104736143
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
1-pyridin-3-ylpentan-2-ol
CID 62553061
1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol
CID 103443598

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol (CID 104736200) is 1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol is OC(Cc1cccnc1)C(F)(F)Cl.
What is the InChIKey of 1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol?
The InChIKey is VMHFJZLEKCOVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c9-8(10,11)7(13)4-6-2-1-3-12-5-6/h1-3,5,7,13H,4H2.
What are the key properties of 1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol?
1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol has a molecular weight of 207.61 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 104736200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).