(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

C9H15ClF2N2O — CID 135306349

IUPAC(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCN1)N1CCC(F)(F)C1
InChIInChI=1S/C9H14F2N2O.ClH/c10-9(11)3-5-13(6-9)8(14)7-2-1-4-12-7;/h7,12H,1-6H2;1H
InChIKeyHMZQVZWOJXFXAZ-UHFFFAOYSA-N
MW240.68 g/mol
LogP1.03
Rot. Bonds1

About (3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (PubChem CID 135306349) has the molecular formula C9H15ClF2N2O and a molecular weight of 240.68 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
PubChem CID135306349
Molecular FormulaC9H15ClF2N2O
Molecular Weight240.68 g/mol
Exact Mass240.08
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCN1)N1CCC(F)(F)C1
InChIInChI=1S/C9H14F2N2O.ClH/c10-9(11)3-5-13(6-9)8(14)7-2-1-4-12-7;/h7,12H,1-6H2;1H
InChIKeyHMZQVZWOJXFXAZ-UHFFFAOYSA-N
XLogP1.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.68
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone
CID 116991084
[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 118444545
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119333374
2-azaspiro[4.5]decan-2-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119805330
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone
CID 155905775
8-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119816893
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone
CID 129497245

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (CID 135306349) is (3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is Cl.O=C(C1CCCN1)N1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The InChIKey is HMZQVZWOJXFXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O.ClH/c10-9(11)3-5-13(6-9)8(14)7-2-1-4-12-7;/h7,12H,1-6H2;1H.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride has a molecular weight of 240.68 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 135306349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).