(2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone

C14H18FNO — CID 116608135

IUPAC(2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCCC1(C(=O)c2cc(C)ccc2F)CCCN1
InChIInChI=1S/C14H18FNO/c1-3-14(7-4-8-16-14)13(17)11-9-10(2)5-6-12(11)15/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyGQYRYEHVKUCEHY-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.85
Rot. Bonds3

About (2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone

(2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 116608135) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID116608135
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCCC1(C(=O)c2cc(C)ccc2F)CCCN1
InChIInChI=1S/C14H18FNO/c1-3-14(7-4-8-16-14)13(17)11-9-10(2)5-6-12(11)15/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyGQYRYEHVKUCEHY-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone (CID 116608135) is (2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone is CCC1(C(=O)c2cc(C)ccc2F)CCCN1.
What is the InChIKey of (2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is GQYRYEHVKUCEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-3-14(7-4-8-16-14)13(17)11-9-10(2)5-6-12(11)15/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of (2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone?
(2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 235.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 116608135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).