3-(difluoromethyl)-1-methylpyrrolidin-3-ol

C6H11F2NO — CID 80605681

IUPAC3-(difluoromethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(C(F)F)C1
InChIInChI=1S/C6H11F2NO/c1-9-3-2-6(10,4-9)5(7)8/h5,10H,2-4H2,1H3
InChIKeyZGPJRKSFCFPAAQ-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.32
Rot. Bonds1

About 3-(difluoromethyl)-1-methylpyrrolidin-3-ol

3-(difluoromethyl)-1-methylpyrrolidin-3-ol (PubChem CID 80605681) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methylpyrrolidin-3-ol
PubChem CID80605681
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name3-(difluoromethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(C(F)F)C1
InChIInChI=1S/C6H11F2NO/c1-9-3-2-6(10,4-9)5(7)8/h5,10H,2-4H2,1H3
InChIKeyZGPJRKSFCFPAAQ-UHFFFAOYSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(difluoromethyl)-1-methylpyrrolidin-3-ol (CID 80605681) is 3-(difluoromethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(difluoromethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(difluoromethyl)-1-methylpyrrolidin-3-ol is CN1CCC(O)(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is ZGPJRKSFCFPAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-9-3-2-6(10,4-9)5(7)8/h5,10H,2-4H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-methylpyrrolidin-3-ol?
3-(difluoromethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 151.16 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 80605681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).