(3,3-difluoropyrrolidin-2-yl)methanol

C5H9F2NO — CID 10534713

IUPAC(3,3-difluoropyrrolidin-2-yl)methanol
SMILESOCC1NCCC1(F)F
InChIInChI=1S/C5H9F2NO/c6-5(7)1-2-8-4(5)3-9/h4,8-9H,1-3H2
InChIKeyRUOBXKUCDKNKRP-UHFFFAOYSA-N
MW137.13 g/mol
LogP-0.02
Rot. Bonds1

About (3,3-difluoropyrrolidin-2-yl)methanol

(3,3-difluoropyrrolidin-2-yl)methanol (PubChem CID 10534713) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-2-yl)methanol
PubChem CID10534713
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name(3,3-difluoropyrrolidin-2-yl)methanol
SMILESOCC1NCCC1(F)F
InChIInChI=1S/C5H9F2NO/c6-5(7)1-2-8-4(5)3-9/h4,8-9H,1-3H2
InChIKeyRUOBXKUCDKNKRP-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 (3,3-difluoropyrrolidin-2-yl)methanol?
The IUPAC name of (3,3-difluoropyrrolidin-2-yl)methanol (CID 10534713) is (3,3-difluoropyrrolidin-2-yl)methanol.
What is the SMILES notation for (3,3-difluoropyrrolidin-2-yl)methanol?
The canonical SMILES for (3,3-difluoropyrrolidin-2-yl)methanol is OCC1NCCC1(F)F.
What is the InChIKey of (3,3-difluoropyrrolidin-2-yl)methanol?
The InChIKey is RUOBXKUCDKNKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7)1-2-8-4(5)3-9/h4,8-9H,1-3H2.
What are the key properties of (3,3-difluoropyrrolidin-2-yl)methanol?
(3,3-difluoropyrrolidin-2-yl)methanol 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 (3,3-difluoropyrrolidin-2-yl)methanol is sourced from PubChem (CID 10534713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).