2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol

C8H15F2NO — CID 105437944

IUPAC2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol
SMILESCN1CCC(CC(F)(F)CO)C1
InChIInChI=1S/C8H15F2NO/c1-11-3-2-7(5-11)4-8(9,10)6-12/h7,12H,2-6H2,1H3
InChIKeyHEJIAPONMVYUEX-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.96
Rot. Bonds3

About 2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol

2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol (PubChem CID 105437944) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol
PubChem CID105437944
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol
SMILESCN1CCC(CC(F)(F)CO)C1
InChIInChI=1S/C8H15F2NO/c1-11-3-2-7(5-11)4-8(9,10)6-12/h7,12H,2-6H2,1H3
InChIKeyHEJIAPONMVYUEX-UHFFFAOYSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 60007094
2,2-Difluoro-2-(1-methylpyrrolidin-3-yl)ethanol
CID 105432623
(2-Ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
CID 123449239
[1-(2,2-Difluoroethyl)-2-methylpyrrolidin-2-yl]methanol
CID 130634120
[3-Methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 142794277
3,3-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 143016289
2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-1-ol
CID 154990670
[(2R)-1-(2,2-difluoroethyl)-3,5-dimethylpyrrolidin-2-yl]methanol
CID 154990714
3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-3-yl]propan-1-ol
CID 156089047
((2S,4R)-1-Methyl-4-(trifluoromethyl)pyrrolidin-2-yl)methanol
CID 156117478
1-(Chloromethyl)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-ol
CID 164166399
(1,2-Diethyl-4,4-difluoropyrrolidin-2-yl)methanol
CID 166534101

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol (CID 105437944) is 2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol is CN1CCC(CC(F)(F)CO)C1.
What is the InChIKey of 2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol?
The InChIKey is HEJIAPONMVYUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-3-2-7(5-11)4-8(9,10)6-12/h7,12H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol?
2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol has a molecular weight of 179.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol is sourced from PubChem (CID 105437944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).