2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone

C10H17FN2O — CID 84721235

IUPAC2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1(F)CCNC1)N1CCCC1
InChIInChI=1S/C10H17FN2O/c11-10(3-4-12-8-10)7-9(14)13-5-1-2-6-13/h12H,1-8H2
InChIKeyMFGJCVBNJZTKFF-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.70
Rot. Bonds2

About 2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone

2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 84721235) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone
PubChem CID84721235
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1(F)CCNC1)N1CCCC1
InChIInChI=1S/C10H17FN2O/c11-10(3-4-12-8-10)7-9(14)13-5-1-2-6-13/h12H,1-8H2
InChIKeyMFGJCVBNJZTKFF-UHFFFAOYSA-N
XLogP0.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride
CID 122239614
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119719489
2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 107424618
1-[2-(3-fluoropyrrolidin-3-yl)ethyl]piperidine
CID 84721269
2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
CID 82508182
(4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride
CID 74890104
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235044
2-(1-hydroxycyclobutyl)-1-piperazin-1-ylethanone
CID 82505839
2-[1-(2-oxo-2-piperidin-1-ylethyl)cyclohexyl]acetic acid
CID 43426933
1-(azepan-1-yl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120897835
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone (CID 84721235) is 2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone is O=C(CC1(F)CCNC1)N1CCCC1.
What is the InChIKey of 2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is MFGJCVBNJZTKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c11-10(3-4-12-8-10)7-9(14)13-5-1-2-6-13/h12H,1-8H2.
What are the key properties of 2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone?
2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 200.26 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 84721235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).