2-pyrrolidin-1-ylpropanoyl fluoride

C7H12FNO — CID 139759345

IUPAC2-pyrrolidin-1-ylpropanoyl fluoride
SMILESCC(C(=O)F)N1CCCC1
InChIInChI=1S/C7H12FNO/c1-6(7(8)10)9-4-2-3-5-9/h6H,2-5H2,1H3
InChIKeyGTPQFCOJHZQXRX-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.97
Rot. Bonds2

About 2-pyrrolidin-1-ylpropanoyl fluoride

2-pyrrolidin-1-ylpropanoyl fluoride (PubChem CID 139759345) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpropanoyl fluoride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpropanoyl fluoride
PubChem CID139759345
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-pyrrolidin-1-ylpropanoyl fluoride
SMILESCC(C(=O)F)N1CCCC1
InChIInChI=1S/C7H12FNO/c1-6(7(8)10)9-4-2-3-5-9/h6H,2-5H2,1H3
InChIKeyGTPQFCOJHZQXRX-UHFFFAOYSA-N
XLogP0.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-pyrrolidin-1-ylpropanamide
CID 39248173
(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393
2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
2-pyrrolidin-1-ylpropanamide;dihydrochloride
CID 142642428
propan-2-one;1-propan-2-ylpyrrolidine
CID 160872903
ethyl 2-piperidin-1-ylpropanoate;methanamine
CID 143433031
2-pyrrolidin-1-ylpropanethioamide
CID 20508430
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460
(2R)-2-[2-(azepan-1-yl)propanoylamino]propanoic acid
CID 119370307
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one
CID 43083770
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylpropanoyl fluoride?
The IUPAC name of 2-pyrrolidin-1-ylpropanoyl fluoride (CID 139759345) is 2-pyrrolidin-1-ylpropanoyl fluoride.
What is the SMILES notation for 2-pyrrolidin-1-ylpropanoyl fluoride?
The canonical SMILES for 2-pyrrolidin-1-ylpropanoyl fluoride is CC(C(=O)F)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylpropanoyl fluoride?
The InChIKey is GTPQFCOJHZQXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-6(7(8)10)9-4-2-3-5-9/h6H,2-5H2,1H3.
What are the key properties of 2-pyrrolidin-1-ylpropanoyl fluoride?
2-pyrrolidin-1-ylpropanoyl fluoride has a molecular weight of 145.18 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpropanoyl fluoride is sourced from PubChem (CID 139759345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).