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

C11H13F2NO2 — CID 129349585

IUPAC[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone
SMILESC[C@@H]1CCN(C(=O)c2ccoc2)CC1(F)F
InChIInChI=1S/C11H13F2NO2/c1-8-2-4-14(7-11(8,12)13)10(15)9-3-5-16-6-9/h3,5-6,8H,2,4,7H2,1H3/t8-/m1/s1
InChIKeySMGNKAKMBABWOM-MRVPVSSYSA-N
MW229.23 g/mol
LogP2.40
Rot. Bonds1

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

[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 129349585) 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-3-yl)methanone.

Molecular Properties

Compound Name[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone
PubChem CID129349585
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone
SMILESC[C@@H]1CCN(C(=O)c2ccoc2)CC1(F)F
InChIInChI=1S/C11H13F2NO2/c1-8-2-4-14(7-11(8,12)13)10(15)9-3-5-16-6-9/h3,5-6,8H,2,4,7H2,1H3/t8-/m1/s1
InChIKeySMGNKAKMBABWOM-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-2-yl)methanone
CID 129349488
(3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone
CID 102962435
N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080410
[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 80666702
1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472729
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone
CID 114509899
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
methyl (3R,4S)-1-(furan-3-carbonyl)-3-methylpiperidine-4-carboxylate
CID 99794318
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[2-[(3aS,7aR)-5-(furan-3-carbonyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide
CID 97476498

Frequently Asked Questions

What is the IUPAC name of [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone (CID 129349585) is [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone is C[C@@H]1CCN(C(=O)c2ccoc2)CC1(F)F.
What is the InChIKey of [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is SMGNKAKMBABWOM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-8-2-4-14(7-11(8,12)13)10(15)9-3-5-16-6-9/h3,5-6,8H,2,4,7H2,1H3/t8-/m1/s1.
What are the key properties of [(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone?
[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-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-3-yl)methanone is sourced from PubChem (CID 129349585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).