(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride

C9H15ClF2N2O2 — CID 67293829

IUPAC(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1CC(O)C(F)(F)C1
InChIInChI=1S/C9H14F2N2O2.ClH/c10-9(11)5-13(4-7(9)14)8(15)6-1-2-12-3-6;/h6-7,12,14H,1-5H2;1H
InChIKeyHVKYRCQEDXFLFA-UHFFFAOYSA-N
MW256.68 g/mol
LogP-0.14
Rot. Bonds1

About (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride

(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride (PubChem CID 67293829) has the molecular formula C9H15ClF2N2O2 and a molecular weight of 256.68 g/mol. Its IUPAC name is (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
PubChem CID67293829
Molecular FormulaC9H15ClF2N2O2
Molecular Weight256.68 g/mol
Exact Mass256.08
IUPAC Name(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1CC(O)C(F)(F)C1
InChIInChI=1S/C9H14F2N2O2.ClH/c10-9(11)5-13(4-7(9)14)8(15)6-1-2-12-3-6;/h6-7,12,14H,1-5H2;1H
InChIKeyHVKYRCQEDXFLFA-UHFFFAOYSA-N
XLogP-0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.68
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride
CID 67293819
[(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 67293822
(3,3-Difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 67293830
2,2,2-trifluoro-N-{[(3R,4S)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide HCl
CID 86616820
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
CID 142438446
N-(2,2-difluoroethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438461
4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 142438491
N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419594
N-(3-hydroxypropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419680
N-(2-hydroxypropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43427732
4-(3-Hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 62918613

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The IUPAC name of (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride (CID 67293829) is (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The canonical SMILES for (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride is Cl.O=C(C1CCNC1)N1CC(O)C(F)(F)C1.
What is the InChIKey of (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The InChIKey is HVKYRCQEDXFLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2.ClH/c10-9(11)5-13(4-7(9)14)8(15)6-1-2-12-3-6;/h6-7,12,14H,1-5H2;1H.
What are the key properties of (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride has a molecular weight of 256.68 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 67293829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).