ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone

C9H18FNO — CID 144575237

IUPACethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone
SMILESCC.CC(=O)N1CCC(C)(F)C1
InChIInChI=1S/C7H12FNO.C2H6/c1-6(10)9-4-3-7(2,8)5-9;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyLPIRFXQTFGWOIE-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.99
Rot. Bonds

About ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone

ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone (PubChem CID 144575237) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone
PubChem CID144575237
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Nameethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone
SMILESCC.CC(=O)N1CCC(C)(F)C1
InChIInChI=1S/C7H12FNO.C2H6/c1-6(10)9-4-3-7(2,8)5-9;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyLPIRFXQTFGWOIE-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-acetyl-3-fluoropyrrolidine-3-carbonitrile
CID 126758837
(3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone
CID 127013160
1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone
CID 163300856
1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one
CID 130638343
1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid
CID 82411727
1-(3-fluoro-3-methylsulfanylpiperidin-1-yl)ethanone
CID 167008492
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone
CID 176675160
(1-acetyl-3-methylpyrrolidin-3-yl) carbamate
CID 175411434
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
CID 70641350
(3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone
CID 164984129
1-(1-acetyl-4-hydroxypiperidin-4-yl)ethanone
CID 15117211

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone (CID 144575237) is ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone is CC.CC(=O)N1CCC(C)(F)C1.
What is the InChIKey of ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone?
The InChIKey is LPIRFXQTFGWOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO.C2H6/c1-6(10)9-4-3-7(2,8)5-9;1-2/h3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone?
ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone has a molecular weight of 175.25 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 144575237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).