(2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone

C14H17F2NO — CID 107515000

IUPAC(2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCC1(C(=O)c2ccc(C)c(F)c2F)CCCN1
InChIInChI=1S/C14H17F2NO/c1-3-14(7-4-8-17-14)13(18)10-6-5-9(2)11(15)12(10)16/h5-6,17H,3-4,7-8H2,1-2H3
InChIKeySGASEKCGVYLKCE-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.99
Rot. Bonds3

About (2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone

(2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone (PubChem CID 107515000) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone
PubChem CID107515000
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name(2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCC1(C(=O)c2ccc(C)c(F)c2F)CCCN1
InChIInChI=1S/C14H17F2NO/c1-3-14(7-4-8-17-14)13(18)10-6-5-9(2)11(15)12(10)16/h5-6,17H,3-4,7-8H2,1-2H3
InChIKeySGASEKCGVYLKCE-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 116608135
(2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 107514916
(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone
CID 116608082
(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161
(4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608267
(2-ethylpyrrolidin-2-yl)-(furan-2-yl)methanone
CID 116608283
(2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608284
(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
CID 116608056
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 129381268
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108
N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071591

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone (CID 107515000) is (2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone is CCC1(C(=O)c2ccc(C)c(F)c2F)CCCN1.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone?
The InChIKey is SGASEKCGVYLKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-3-14(7-4-8-17-14)13(18)10-6-5-9(2)11(15)12(10)16/h5-6,17H,3-4,7-8H2,1-2H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone?
(2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone has a molecular weight of 253.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 107515000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).