(2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone

C14H17F2NO — CID 116570430

IUPAC(2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)c2c(F)ccc(C)c2F)CCNC1
InChIInChI=1S/C14H17F2NO/c1-3-14(6-7-17-8-14)13(18)11-10(15)5-4-9(2)12(11)16/h4-5,17H,3,6-8H2,1-2H3
InChIKeyDEFUQLVAEBTMAX-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.85
Rot. Bonds3

About (2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone

(2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone (PubChem CID 116570430) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone
PubChem CID116570430
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name(2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)c2c(F)ccc(C)c2F)CCNC1
InChIInChI=1S/C14H17F2NO/c1-3-14(6-7-17-8-14)13(18)11-10(15)5-4-9(2)12(11)16/h4-5,17H,3,6-8H2,1-2H3
InChIKeyDEFUQLVAEBTMAX-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568708
(2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447852
[4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 116603226
(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568719
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656
(3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone
CID 116570190
3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 63138345
(4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone
CID 116568013
(2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
CID 106883026
5-[(3-ethylpyrrolidine-3-carbonyl)amino]-2-fluorobenzoic acid
CID 63139894
N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 82818995
3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 63132469

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone (CID 116570430) is (2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone is CCC1(C(=O)c2c(F)ccc(C)c2F)CCNC1.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone?
The InChIKey is DEFUQLVAEBTMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-3-14(6-7-17-8-14)13(18)11-10(15)5-4-9(2)12(11)16/h4-5,17H,3,6-8H2,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone?
(2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone has a molecular weight of 253.29 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 (2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116570430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).