potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate

C7H13FKNO — CID 142317678

IUPACpotassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate
SMILES[K+].[O-]CCCN1CCC(F)C1
InChIInChI=1S/C7H13FNO.K/c8-7-2-4-9(6-7)3-1-5-10;/h7H,1-6H2;/q-1;+1
InChIKeyFEJGWJWKVVQQRT-UHFFFAOYSA-N
MW185.28 g/mol
LogP-3.22
Rot. Bonds3

About potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate

potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate (PubChem CID 142317678) has the molecular formula C7H13FKNO and a molecular weight of 185.28 g/mol. Its IUPAC name is potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate.

Molecular Properties

Compound Namepotassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate
PubChem CID142317678
Molecular FormulaC7H13FKNO
Molecular Weight185.28 g/mol
Exact Mass185.06
IUPAC Namepotassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate
SMILES[K+].[O-]CCCN1CCC(F)C1
InChIInChI=1S/C7H13FNO.K/c8-7-2-4-9(6-7)3-1-5-10;/h7H,1-6H2;/q-1;+1
InChIKeyFEJGWJWKVVQQRT-UHFFFAOYSA-N
XLogP-3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.28
LogP ≤ 5-3.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride
CID 45156784
(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine
CID 130667245
2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 67408508
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038
3-fluoro-1-(4-methylpentyl)piperidine
CID 58664939
3-fluoro-1-pent-4-enylpiperidine
CID 163239212
tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane
CID 90288475
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865
2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid
CID 167713960
2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione
CID 175208589
O-[3-(4-fluoropiperidin-1-yl)propyl]hydroxylamine
CID 167131702

Frequently Asked Questions

What is the IUPAC name of potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate?
The IUPAC name of potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate (CID 142317678) is potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate.
What is the SMILES notation for potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate?
The canonical SMILES for potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate is [K+].[O-]CCCN1CCC(F)C1.
What is the InChIKey of potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate?
The InChIKey is FEJGWJWKVVQQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FNO.K/c8-7-2-4-9(6-7)3-1-5-10;/h7H,1-6H2;/q-1;+1.
What are the key properties of potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate?
potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate has a molecular weight of 185.28 g/mol, XLogP of -3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate is sourced from PubChem (CID 142317678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).