pyrrolidine-3-carbonyl fluoride

C5H8FNO — CID 143563092

IUPACpyrrolidine-3-carbonyl fluoride
SMILESO=C(F)C1CCNC1
InChIInChI=1S/C5H8FNO/c6-5(8)4-1-2-7-3-4/h4,7H,1-3H2
InChIKeyZVRHUWJVXRYADP-UHFFFAOYSA-N
MW117.12 g/mol
LogP0.09
Rot. Bonds1

About pyrrolidine-3-carbonyl fluoride

pyrrolidine-3-carbonyl fluoride (PubChem CID 143563092) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is pyrrolidine-3-carbonyl fluoride.

Molecular Properties

Compound Namepyrrolidine-3-carbonyl fluoride
PubChem CID143563092
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Namepyrrolidine-3-carbonyl fluoride
SMILESO=C(F)C1CCNC1
InChIInChI=1S/C5H8FNO/c6-5(8)4-1-2-7-3-4/h4,7H,1-3H2
InChIKeyZVRHUWJVXRYADP-UHFFFAOYSA-N
XLogP0.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidine-3-carboxamide
CID 17823279
(3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 57605997
4-(Fluoromethyl)pyrrolidin-2-one
CID 67254655
3-(Fluoromethyl)pyrrolidin-2-one
CID 67255663
4,5-Difluoropyrrolidine-3-carboxamide
CID 69278865
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
4-(Trifluoromethyl)pyrrolidine-3-carboxamide
CID 84074107
4-Fluoropyrrolidine-3-carboxamide
CID 84074376
3-Fluoropyrrolidine-3-carboxamide
CID 84075055
3-Fluoropyrrolidine-3-carbonyl fluoride
CID 87229647
3-Fluoropyrrolidine-3-carbaldehyde
CID 89379154
3-Fluoro-4-methylpyrrolidin-2-one
CID 130186888

Frequently Asked Questions

What is the IUPAC name of pyrrolidine-3-carbonyl fluoride?
The IUPAC name of pyrrolidine-3-carbonyl fluoride (CID 143563092) is pyrrolidine-3-carbonyl fluoride.
What is the SMILES notation for pyrrolidine-3-carbonyl fluoride?
The canonical SMILES for pyrrolidine-3-carbonyl fluoride is O=C(F)C1CCNC1.
What is the InChIKey of pyrrolidine-3-carbonyl fluoride?
The InChIKey is ZVRHUWJVXRYADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c6-5(8)4-1-2-7-3-4/h4,7H,1-3H2.
What are the key properties of pyrrolidine-3-carbonyl fluoride?
pyrrolidine-3-carbonyl fluoride has a molecular weight of 117.12 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-3-carbonyl fluoride is sourced from PubChem (CID 143563092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).