(3,4-difluoropyrrolidin-1-yl) formate

C5H7F2NO2 — CID 123526461

IUPAC(3,4-difluoropyrrolidin-1-yl) formate
SMILESO=CON1CC(F)C(F)C1
InChIInChI=1S/C5H7F2NO2/c6-4-1-8(10-3-9)2-5(4)7/h3-5H,1-2H2
InChIKeyAIVLOEHBELOITC-UHFFFAOYSA-N
MW151.11 g/mol
LogP0.07
Rot. Bonds2

About (3,4-difluoropyrrolidin-1-yl) formate

(3,4-difluoropyrrolidin-1-yl) formate (PubChem CID 123526461) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is (3,4-difluoropyrrolidin-1-yl) formate.

Molecular Properties

Compound Name(3,4-difluoropyrrolidin-1-yl) formate
PubChem CID123526461
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name(3,4-difluoropyrrolidin-1-yl) formate
SMILESO=CON1CC(F)C(F)C1
InChIInChI=1S/C5H7F2NO2/c6-4-1-8(10-3-9)2-5(4)7/h3-5H,1-2H2
InChIKeyAIVLOEHBELOITC-UHFFFAOYSA-N
XLogP0.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoropyrrolidine-1-carbaldehyde
CID 87779291
2,5-dihydropyrrol-1-yl formate
CID 142685425
1-ethenoxy-3-fluoroazetidine
CID 59842412
[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl] formate
CID 67758323
(3R,4R)-3,4-difluoro-1-methanidylpyrrolidine
CID 123412540
(3S,4S)-3,4-difluoro-1-methylpyrrolidine
CID 70308023
[4-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazepan-1-yl] formate
CID 142774582
oxetan-2-yl formate
CID 54348589
[(5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl] formate
CID 90443421
3,4-difluorocyclopentane-1-carbaldehyde
CID 140541377
(3S)-3-fluoropyrrolidine-1-carbaldehyde
CID 118450648
ethyl 1-formyloxypiperidine-4-carboxylate
CID 175375218

Frequently Asked Questions

What is the IUPAC name of (3,4-difluoropyrrolidin-1-yl) formate?
The IUPAC name of (3,4-difluoropyrrolidin-1-yl) formate (CID 123526461) is (3,4-difluoropyrrolidin-1-yl) formate.
What is the SMILES notation for (3,4-difluoropyrrolidin-1-yl) formate?
The canonical SMILES for (3,4-difluoropyrrolidin-1-yl) formate is O=CON1CC(F)C(F)C1.
What is the InChIKey of (3,4-difluoropyrrolidin-1-yl) formate?
The InChIKey is AIVLOEHBELOITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-4-1-8(10-3-9)2-5(4)7/h3-5H,1-2H2.
What are the key properties of (3,4-difluoropyrrolidin-1-yl) formate?
(3,4-difluoropyrrolidin-1-yl) formate has a molecular weight of 151.11 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoropyrrolidin-1-yl) formate is sourced from PubChem (CID 123526461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).