ethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate

C19H15F2NO2 — CID 164676593

IUPACethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate
SMILESCCOC(=O)C(F)(F)c1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C19H15F2NO2/c1-2-24-18(23)19(20,21)15-12-22-16-11-7-6-10-14(16)17(15)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKeyZFPMWHKCWIGAMT-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.56
Rot. Bonds4

About ethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate

ethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate (PubChem CID 164676593) has the molecular formula C19H15F2NO2 and a molecular weight of 327.33 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate
PubChem CID164676593
Molecular FormulaC19H15F2NO2
Molecular Weight327.33 g/mol
Exact Mass327.11
IUPAC Nameethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate
SMILESCCOC(=O)C(F)(F)c1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C19H15F2NO2/c1-2-24-18(23)19(20,21)15-12-22-16-11-7-6-10-14(16)17(15)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKeyZFPMWHKCWIGAMT-UHFFFAOYSA-N
XLogP4.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-{[{3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}(Methyl)Amino]Methyl}Phenyl)Acetic Acid
CID 16090332
2-{4-[({3-[3-Methyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}acetic acid
CID 23648467
2-(2-Methyl-4-phenylquinolin-3-yl)acetic acid
CID 2113303
3-Methylquinoline-4-carboxylic acid
CID 604440
2-(Quinolin-3-YL)acetic acid
CID 604482
2-(Quinolin-8-yl)acetic acid
CID 16227542
2-(Hydroxyimino)-3-(4-quinolinyl)propanoic acid
CID 6712945
2-[4-(2-Fluoro-3-pyridinyl)phenyl]-3-methylquinoline-4-carboxylic acid
CID 145967609
2-[4-[2-(Trifluoromethyl)-3-pyridinyl]phenyl]quinoline-4-carboxylic acid
CID 145971128
(1-Butylpiperidin-4-yl)methyl quinoline-4-carboxylate
CID 145980826
6-Fluoro-2-[4-(2-fluoro-3-pyridinyl)phenyl]-3-methylquinoline-4-carboxylic acid
CID 145989710
Ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate
CID 2803848

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate (CID 164676593) is ethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate is CCOC(=O)C(F)(F)c1cnc2ccccc2c1-c1ccccc1.
What is the InChIKey of ethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate?
The InChIKey is ZFPMWHKCWIGAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2/c1-2-24-18(23)19(20,21)15-12-22-16-11-7-6-10-14(16)17(15)13-8-4-3-5-9-13/h3-12H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate?
ethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate has a molecular weight of 327.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(4-phenylquinolin-3-yl)acetate is sourced from PubChem (CID 164676593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).