3-(difluoromethyl)pyrrolidin-3-ol

C5H9F2NO — CID 71756932

IUPAC3-(difluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)F)CCNC1
InChIInChI=1S/C5H9F2NO/c6-4(7)5(9)1-2-8-3-5/h4,8-9H,1-3H2
InChIKeyGPBFMCNKIWWMOE-UHFFFAOYSA-N
MW137.13 g/mol
LogP-0.02
Rot. Bonds1

About 3-(difluoromethyl)pyrrolidin-3-ol

3-(difluoromethyl)pyrrolidin-3-ol (PubChem CID 71756932) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 3-(difluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(difluoromethyl)pyrrolidin-3-ol
PubChem CID71756932
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name3-(difluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)F)CCNC1
InChIInChI=1S/C5H9F2NO/c6-4(7)5(9)1-2-8-3-5/h4,8-9H,1-3H2
InChIKeyGPBFMCNKIWWMOE-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(difluoromethyl)pyrrolidin-3-ol (CID 71756932) is 3-(difluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(difluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(difluoromethyl)pyrrolidin-3-ol is OC1(C(F)F)CCNC1.
What is the InChIKey of 3-(difluoromethyl)pyrrolidin-3-ol?
The InChIKey is GPBFMCNKIWWMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-4(7)5(9)1-2-8-3-5/h4,8-9H,1-3H2.
What are the key properties of 3-(difluoromethyl)pyrrolidin-3-ol?
3-(difluoromethyl)pyrrolidin-3-ol has a molecular weight of 137.13 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 71756932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).