3-fluoropyrrolidine-1-carbonyl chloride

C5H7ClFNO — CID 175546868

IUPAC3-fluoropyrrolidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(F)C1
InChIInChI=1S/C5H7ClFNO/c6-5(9)8-2-1-4(7)3-8/h4H,1-3H2
InChIKeySMYWQARINBRFCC-UHFFFAOYSA-N
MW151.57 g/mol
LogP1.39
Rot. Bonds

About 3-fluoropyrrolidine-1-carbonyl chloride

3-fluoropyrrolidine-1-carbonyl chloride (PubChem CID 175546868) has the molecular formula C5H7ClFNO and a molecular weight of 151.57 g/mol. Its IUPAC name is 3-fluoropyrrolidine-1-carbonyl chloride.

Molecular Properties

Compound Name3-fluoropyrrolidine-1-carbonyl chloride
PubChem CID175546868
Molecular FormulaC5H7ClFNO
Molecular Weight151.57 g/mol
Exact Mass151.02
IUPAC Name3-fluoropyrrolidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(F)C1
InChIInChI=1S/C5H7ClFNO/c6-5(9)8-2-1-4(7)3-8/h4H,1-3H2
InChIKeySMYWQARINBRFCC-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.57
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
3-(dimethylamino)pyrrolidine-1-carbonyl chloride
CID 79886816
3-fluoropyrrolidine-1-carbohydrazide
CID 155317183
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766
(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
CID 165491183
1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid
CID 174724747
[(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 175876207
4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one
CID 83854045
3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride
CID 165496688
(3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone
CID 170122418
4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride
CID 155821051

Frequently Asked Questions

What is the IUPAC name of 3-fluoropyrrolidine-1-carbonyl chloride?
The IUPAC name of 3-fluoropyrrolidine-1-carbonyl chloride (CID 175546868) is 3-fluoropyrrolidine-1-carbonyl chloride.
What is the SMILES notation for 3-fluoropyrrolidine-1-carbonyl chloride?
The canonical SMILES for 3-fluoropyrrolidine-1-carbonyl chloride is O=C(Cl)N1CCC(F)C1.
What is the InChIKey of 3-fluoropyrrolidine-1-carbonyl chloride?
The InChIKey is SMYWQARINBRFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClFNO/c6-5(9)8-2-1-4(7)3-8/h4H,1-3H2.
What are the key properties of 3-fluoropyrrolidine-1-carbonyl chloride?
3-fluoropyrrolidine-1-carbonyl chloride has a molecular weight of 151.57 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrrolidine-1-carbonyl chloride is sourced from PubChem (CID 175546868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).