[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone

C11H13F2NO2 — CID 129349488

IUPAC[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone
SMILESC[C@@H]1CCN(C(=O)c2ccco2)CC1(F)F
InChIInChI=1S/C11H13F2NO2/c1-8-4-5-14(7-11(8,12)13)10(15)9-3-2-6-16-9/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyYACVHQMIUXHTBD-MRVPVSSYSA-N
MW229.23 g/mol
LogP2.40
Rot. Bonds1

About [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone

[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 129349488) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone
PubChem CID129349488
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone
SMILESC[C@@H]1CCN(C(=O)c2ccco2)CC1(F)F
InChIInChI=1S/C11H13F2NO2/c1-8-4-5-14(7-11(8,12)13)10(15)9-3-2-6-16-9/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyYACVHQMIUXHTBD-MRVPVSSYSA-N
XLogP2.40
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone
CID 129349585
(4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone
CID 114683288
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
[(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone
CID 124522121
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone (CID 129349488) is [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone is C[C@@H]1CCN(C(=O)c2ccco2)CC1(F)F.
What is the InChIKey of [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is YACVHQMIUXHTBD-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-8-4-5-14(7-11(8,12)13)10(15)9-3-2-6-16-9/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone?
[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 229.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 129349488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).