4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol

C7H13F2NO — CID 115013013

IUPAC4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)C(CC(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-10-3-5(2-7(8)9)6(11)4-10/h5-7,11H,2-4H2,1H3
InChIKeyAREKOQKGFHPXHZ-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.56
Rot. Bonds2

About 4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol

4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol (PubChem CID 115013013) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol
PubChem CID115013013
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)C(CC(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-10-3-5(2-7(8)9)6(11)4-10/h5-7,11H,2-4H2,1H3
InChIKeyAREKOQKGFHPXHZ-UHFFFAOYSA-N
XLogP0.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol (CID 115013013) is 4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol is CN1CC(O)C(CC(F)F)C1.
What is the InChIKey of 4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is AREKOQKGFHPXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10-3-5(2-7(8)9)6(11)4-10/h5-7,11H,2-4H2,1H3.
What are the key properties of 4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol?
4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 165.18 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 115013013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).