2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide

C12H8F4N2O — CID 103732344

IUPAC2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide
SMILESO=C(Nc1cnc2ccccc2c1)C(F)(F)C(F)F
InChIInChI=1S/C12H8F4N2O/c13-10(14)12(15,16)11(19)18-8-5-7-3-1-2-4-9(7)17-6-8/h1-6,10H,(H,18,19)
InChIKeyCBEBGCUTPKUBOG-UHFFFAOYSA-N
MW272.20 g/mol
LogP3.07
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide

2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide (PubChem CID 103732344) has the molecular formula C12H8F4N2O and a molecular weight of 272.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide
PubChem CID103732344
Molecular FormulaC12H8F4N2O
Molecular Weight272.20 g/mol
Exact Mass272.06
IUPAC Name2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide
SMILESO=C(Nc1cnc2ccccc2c1)C(F)(F)C(F)F
InChIInChI=1S/C12H8F4N2O/c13-10(14)12(15,16)11(19)18-8-5-7-3-1-2-4-9(7)17-6-8/h1-6,10H,(H,18,19)
InChIKeyCBEBGCUTPKUBOG-UHFFFAOYSA-N
XLogP3.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-quinolin-3-ylcarbamate
CID 19697860
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
2-amino-2-methyl-N-quinolin-3-ylpentanamide
CID 60846674
2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide
CID 114995607
2-amino-2-phenyl-N-quinolin-3-ylacetamide
CID 43704715
2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
CID 103731851
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
N-quinolin-3-ylhydroxylamine
CID 54286324
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
1-methyl-1-phenyl-3-quinolin-3-ylurea
CID 886905

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide (CID 103732344) is 2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide is O=C(Nc1cnc2ccccc2c1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide?
The InChIKey is CBEBGCUTPKUBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O/c13-10(14)12(15,16)11(19)18-8-5-7-3-1-2-4-9(7)17-6-8/h1-6,10H,(H,18,19).
What are the key properties of 2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide?
2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide has a molecular weight of 272.20 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 103732344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).