1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one

C18H24FNO2 — CID 71870624

IUPAC1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
SMILESCC1CC(c2ccccc2F)N(C(=O)CCC2CCCO2)C1
InChIInChI=1S/C18H24FNO2/c1-13-11-17(15-6-2-3-7-16(15)19)20(12-13)18(21)9-8-14-5-4-10-22-14/h2-3,6-7,13-14,17H,4-5,8-12H2,1H3
InChIKeyQLNAOJXDGHHHHO-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.69
Rot. Bonds4

About 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one

1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one (PubChem CID 71870624) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
PubChem CID71870624
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
SMILESCC1CC(c2ccccc2F)N(C(=O)CCC2CCCO2)C1
InChIInChI=1S/C18H24FNO2/c1-13-11-17(15-6-2-3-7-16(15)19)20(12-13)18(21)9-8-14-5-4-10-22-14/h2-3,6-7,13-14,17H,4-5,8-12H2,1H3
InChIKeyQLNAOJXDGHHHHO-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate
CID 75507661
2-[3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-oxopropyl]benzoic acid
CID 120692117
1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride
CID 119793828
1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119793843
1-[(3R)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-3-[(2S)-oxolan-2-yl]propan-1-one
CID 96569671
[(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124691859
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 120734193
N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide
CID 71868535
1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
CID 122148268
2-[2-(2-fluorophenyl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 71862821
(7S)-1-[3-[(2S)-oxolan-2-yl]propanoyl]-7-phenyl-1,4-diazepan-5-one
CID 95580426
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one (CID 71870624) is 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one is CC1CC(c2ccccc2F)N(C(=O)CCC2CCCO2)C1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The InChIKey is QLNAOJXDGHHHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-13-11-17(15-6-2-3-7-16(15)19)20(12-13)18(21)9-8-14-5-4-10-22-14/h2-3,6-7,13-14,17H,4-5,8-12H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one?
1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one has a molecular weight of 305.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 71870624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).