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

C8H15F2NO — CID 105437946

IUPAC2,2-difluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol
SMILESCN1CCCC1CC(F)(F)CO
InChIInChI=1S/C8H15F2NO/c1-11-4-2-3-7(11)5-8(9,10)6-12/h7,12H,2-6H2,1H3
InChIKeyPMEIZMCUZCWTJQ-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.10
Rot. Bonds3

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

2,2-difluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol (PubChem CID 105437946) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2,2-difluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol
PubChem CID105437946
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2,2-difluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol
SMILESCN1CCCC1CC(F)(F)CO
InChIInChI=1S/C8H15F2NO/c1-11-4-2-3-7(11)5-8(9,10)6-12/h7,12H,2-6H2,1H3
InChIKeyPMEIZMCUZCWTJQ-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol (CID 105437946) is 2,2-difluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol is CN1CCCC1CC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol?
The InChIKey is PMEIZMCUZCWTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-4-2-3-7(11)5-8(9,10)6-12/h7,12H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol?
2,2-difluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol has a molecular weight of 179.21 g/mol, XLogP of 1.10, 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-2-yl)propan-1-ol is sourced from PubChem (CID 105437946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).