[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone

C13H22FNO2 — CID 139364697

IUPAC[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCC(C)C1CN(C(=O)C2CCOCC2)C[C@@H]1F
InChIInChI=1S/C13H22FNO2/c1-9(2)11-7-15(8-12(11)14)13(16)10-3-5-17-6-4-10/h9-12H,3-8H2,1-2H3/t11?,12-/m0/s1
InChIKeyCOFOSAFEIUTQHH-KIYNQFGBSA-N
MW243.32 g/mol
LogP1.87
Rot. Bonds2

About [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone

[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 139364697) has the molecular formula C13H22FNO2 and a molecular weight of 243.32 g/mol. Its IUPAC name is [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID139364697
Molecular FormulaC13H22FNO2
Molecular Weight243.32 g/mol
Exact Mass243.16
IUPAC Name[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCC(C)C1CN(C(=O)C2CCOCC2)C[C@@H]1F
InChIInChI=1S/C13H22FNO2/c1-9(2)11-7-15(8-12(11)14)13(16)10-3-5-17-6-4-10/h9-12H,3-8H2,1-2H3/t11?,12-/m0/s1
InChIKeyCOFOSAFEIUTQHH-KIYNQFGBSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dipropyloxane-4-carboxamide
CID 51073126
[(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 139364670
[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 153329545
[(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 155261673
[(3R)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 170075813
[(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 175876195
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 78882905
N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 78884118
(3,3-difluoropyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 122160391
[4-(Fluoromethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 126793905
Oxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 167972281
1-isobutyl-4-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-3-pyrrolidinyl]piperidine
CID 45214204

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 139364697) is [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone is CC(C)C1CN(C(=O)C2CCOCC2)C[C@@H]1F.
What is the InChIKey of [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is COFOSAFEIUTQHH-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H22FNO2/c1-9(2)11-7-15(8-12(11)14)13(16)10-3-5-17-6-4-10/h9-12H,3-8H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone?
[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 243.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 139364697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).