3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol

C10H17F2NO — CID 164660211

IUPAC3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(CCC2CC2(F)F)C1
InChIInChI=1S/C10H17F2NO/c1-13-5-4-9(14,7-13)3-2-8-6-10(8,11)12/h8,14H,2-7H2,1H3
InChIKeyKMVAEANDWGXCCT-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.49
Rot. Bonds3

About 3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol

3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol (PubChem CID 164660211) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol
PubChem CID164660211
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(CCC2CC2(F)F)C1
InChIInChI=1S/C10H17F2NO/c1-13-5-4-9(14,7-13)3-2-8-6-10(8,11)12/h8,14H,2-7H2,1H3
InChIKeyKMVAEANDWGXCCT-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol (CID 164660211) is 3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol is CN1CCC(O)(CCC2CC2(F)F)C1.
What is the InChIKey of 3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol?
The InChIKey is KMVAEANDWGXCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-13-5-4-9(14,7-13)3-2-8-6-10(8,11)12/h8,14H,2-7H2,1H3.
What are the key properties of 3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol?
3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol has a molecular weight of 205.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-difluorocyclopropyl)ethyl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 164660211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).