[2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone

C11H14FNO2 — CID 126769437

IUPAC[2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2CF)co1
InChIInChI=1S/C11H14FNO2/c1-8-5-9(7-15-8)11(14)13-4-2-3-10(13)6-12/h5,7,10H,2-4,6H2,1H3
InChIKeySWSCNNAXKPOVQU-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.16
Rot. Bonds2

About [2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone

[2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone (PubChem CID 126769437) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is [2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
PubChem CID126769437
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name[2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2CF)co1
InChIInChI=1S/C11H14FNO2/c1-8-5-9(7-15-8)11(14)13-4-2-3-10(13)6-12/h5,7,10H,2-4,6H2,1H3
InChIKeySWSCNNAXKPOVQU-UHFFFAOYSA-N
XLogP2.16
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 114822101
tert-butyl N-methyl-N-[[(2R)-1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl]carbamate
CID 99824146
2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 114820809
[3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone
CID 114823430
[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 164631850
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 102737812
[3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114818395
[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 128989038
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(5-methylfuran-3-yl)methanone
CID 127981809
[2-(chloromethyl)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 63394765
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370453
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 124576168

Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone?
The IUPAC name of [2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone (CID 126769437) is [2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for [2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone?
The canonical SMILES for [2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCCC2CF)co1.
What is the InChIKey of [2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone?
The InChIKey is SWSCNNAXKPOVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8-5-9(7-15-8)11(14)13-4-2-3-10(13)6-12/h5,7,10H,2-4,6H2,1H3.
What are the key properties of [2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone?
[2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone has a molecular weight of 211.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 126769437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).