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

C5H9F2NO — CID 123518217

IUPAC(2,2-difluoropyrrolidin-3-yl)methanol
SMILESOCC1CCNC1(F)F
InChIInChI=1S/C5H9F2NO/c6-5(7)4(3-9)1-2-8-5/h4,8-9H,1-3H2
InChIKeyQADSBLVDSHXGAF-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.18
Rot. Bonds1

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

(2,2-difluoropyrrolidin-3-yl)methanol (PubChem CID 123518217) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is (2,2-difluoropyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(2,2-difluoropyrrolidin-3-yl)methanol
PubChem CID123518217
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name(2,2-difluoropyrrolidin-3-yl)methanol
SMILESOCC1CCNC1(F)F
InChIInChI=1S/C5H9F2NO/c6-5(7)4(3-9)1-2-8-5/h4,8-9H,1-3H2
InChIKeyQADSBLVDSHXGAF-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

D-beta-Prolinol
CID 7446913
(Pyrrolidin-3-yl)methanol
CID 13400657
(Pyrrolidin-3-yl)methanol hydrochloride
CID 23080030
(3S)-pyrrolidin-3-ylmethanol hydrochloride
CID 43810917
(3R)-pyrrolidin-3-ylmethanol hydrochloride
CID 43810918
rac-[(3R,4R)-4-methylpyrrolidin-3-yl]methanol
CID 49757939
rac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 53410317
(3-(Trifluoromethyl)pyrrolidin-3-yl)methanol hydrochloride
CID 53414538
2,2-Difluoro-2-(pyrrolidin-3-yl)ethan-1-ol
CID 60006963
rac-((3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl)methanol
CID 70207388
3-[(Difluoromethoxy)methyl]pyrrolidine
CID 84716441
2,2,2-Trifluoro-1-(pyrrolidin-3-yl)ethan-1-ol hydrochloride
CID 90204416

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoropyrrolidin-3-yl)methanol?
The IUPAC name of (2,2-difluoropyrrolidin-3-yl)methanol (CID 123518217) is (2,2-difluoropyrrolidin-3-yl)methanol.
What is the SMILES notation for (2,2-difluoropyrrolidin-3-yl)methanol?
The canonical SMILES for (2,2-difluoropyrrolidin-3-yl)methanol is OCC1CCNC1(F)F.
What is the InChIKey of (2,2-difluoropyrrolidin-3-yl)methanol?
The InChIKey is QADSBLVDSHXGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7)4(3-9)1-2-8-5/h4,8-9H,1-3H2.
What are the key properties of (2,2-difluoropyrrolidin-3-yl)methanol?
(2,2-difluoropyrrolidin-3-yl)methanol has a molecular weight of 137.13 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoropyrrolidin-3-yl)methanol is sourced from PubChem (CID 123518217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).