[4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol

C7H13F2NO2 — CID 123475252

IUPAC[4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol
SMILESOCC1CC(OCC(F)F)CN1
InChIInChI=1S/C7H13F2NO2/c8-7(9)4-12-6-1-5(3-11)10-2-6/h5-7,10-11H,1-4H2
InChIKeyJZYIGAPRWAKJAZ-UHFFFAOYSA-N
MW181.18 g/mol
LogP-0.01
Rot. Bonds4

About [4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol

[4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol (PubChem CID 123475252) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol
PubChem CID123475252
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name[4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol
SMILESOCC1CC(OCC(F)F)CN1
InChIInChI=1S/C7H13F2NO2/c8-7(9)4-12-6-1-5(3-11)10-2-6/h5-7,10-11H,1-4H2
InChIKeyJZYIGAPRWAKJAZ-UHFFFAOYSA-N
XLogP-0.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol?
The IUPAC name of [4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol (CID 123475252) is [4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol?
The canonical SMILES for [4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol is OCC1CC(OCC(F)F)CN1.
What is the InChIKey of [4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol?
The InChIKey is JZYIGAPRWAKJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c8-7(9)4-12-6-1-5(3-11)10-2-6/h5-7,10-11H,1-4H2.
What are the key properties of [4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol?
[4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol has a molecular weight of 181.18 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 123475252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).