1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone

C14H18FNO — CID 110671110

IUPAC1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
SMILESCCC1CCCN1C(=O)Cc1ccccc1F
InChIInChI=1S/C14H18FNO/c1-2-12-7-5-9-16(12)14(17)10-11-6-3-4-8-13(11)15/h3-4,6,8,12H,2,5,7,9-10H2,1H3
InChIKeyCGHJXCWAKPWVGB-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.77
Rot. Bonds3

About 1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone

1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone (PubChem CID 110671110) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
PubChem CID110671110
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
SMILESCCC1CCCN1C(=O)Cc1ccccc1F
InChIInChI=1S/C14H18FNO/c1-2-12-7-5-9-16(12)14(17)10-11-6-3-4-8-13(11)15/h3-4,6,8,12H,2,5,7,9-10H2,1H3
InChIKeyCGHJXCWAKPWVGB-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(chloromethyl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 55187621
1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
1-(2-ethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylsulfonyl]ethanone
CID 86989421
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 7346087
3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one
CID 54885747
4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 109148363
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 92893660
2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592
4-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149064
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone (CID 110671110) is 1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone is CCC1CCCN1C(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone?
The InChIKey is CGHJXCWAKPWVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-12-7-5-9-16(12)14(17)10-11-6-3-4-8-13(11)15/h3-4,6,8,12H,2,5,7,9-10H2,1H3.
What are the key properties of 1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone?
1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone has a molecular weight of 235.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 110671110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).