1-(2,2-difluoroethyl)pyrrolidin-3-ol

C6H11F2NO — CID 62918041

IUPAC1-(2,2-difluoroethyl)pyrrolidin-3-ol
SMILESOC1CCN(CC(F)F)C1
InChIInChI=1S/C6H11F2NO/c7-6(8)4-9-2-1-5(10)3-9/h5-6,10H,1-4H2
InChIKeyGLSFKVZLDBCSSQ-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.32
Rot. Bonds2

About 1-(2,2-difluoroethyl)pyrrolidin-3-ol

1-(2,2-difluoroethyl)pyrrolidin-3-ol (PubChem CID 62918041) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrrolidin-3-ol
PubChem CID62918041
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name1-(2,2-difluoroethyl)pyrrolidin-3-ol
SMILESOC1CCN(CC(F)F)C1
InChIInChI=1S/C6H11F2NO/c7-6(8)4-9-2-1-5(10)3-9/h5-6,10H,1-4H2
InChIKeyGLSFKVZLDBCSSQ-UHFFFAOYSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 1-(2,2-difluoroethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2,2-difluoroethyl)pyrrolidin-3-ol (CID 62918041) is 1-(2,2-difluoroethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrrolidin-3-ol is OC1CCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrrolidin-3-ol?
The InChIKey is GLSFKVZLDBCSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)4-9-2-1-5(10)3-9/h5-6,10H,1-4H2.
What are the key properties of 1-(2,2-difluoroethyl)pyrrolidin-3-ol?
1-(2,2-difluoroethyl)pyrrolidin-3-ol has a molecular weight of 151.16 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrrolidin-3-ol is sourced from PubChem (CID 62918041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).