difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate

C14H8BF6NO4 — CID 15282972

IUPACdifluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate
SMILESO=C(OB(F)F)c1cn(C2CC2)c2c(OC(F)F)c(F)c(F)cc2c1=O
InChIInChI=1S/C14H8BF6NO4/c16-8-3-6-10(12(9(8)17)25-14(18)19)22(5-1-2-5)4-7(11(6)23)13(24)26-15(20)21/h3-5,14H,1-2H2
InChIKeyGLQQXCHKCFJZOO-UHFFFAOYSA-N
MW379.02 g/mol
LogP3.30
Rot. Bonds5

About difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate

difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate (PubChem CID 15282972) has the molecular formula C14H8BF6NO4 and a molecular weight of 379.02 g/mol. Its IUPAC name is difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namedifluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate
PubChem CID15282972
Molecular FormulaC14H8BF6NO4
Molecular Weight379.02 g/mol
Exact Mass379.05
IUPAC Namedifluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate
SMILESO=C(OB(F)F)c1cn(C2CC2)c2c(OC(F)F)c(F)c(F)cc2c1=O
InChIInChI=1S/C14H8BF6NO4/c16-8-3-6-10(12(9(8)17)25-14(18)19)22(5-1-2-5)4-7(11(6)23)13(24)26-15(20)21/h3-5,14H,1-2H2
InChIKeyGLQQXCHKCFJZOO-UHFFFAOYSA-N
XLogP3.30
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.02
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

difluoroboranyl 6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylate
CID 12993653
difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate
CID 59342464
boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66924300
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide
CID 24952472
ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 11046932
methyl 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-(7-hydroxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)-4-oxoquinoline-3-carboxylate
CID 59889223
difluoroboranyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 57131028
difluoroboranyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3R)-3-[(1R)-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylate
CID 10076266
7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46916954
ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 19371459
1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[(1R)-1-methyl-1,3-dihydroisoindol-2-yl]-4-oxoquinoline-3-carboxylic acid
CID 59271764
ethyl 1-cyclopropyl-6,8-difluoro-7-iodo-4-oxoquinoline-3-carboxylate
CID 10669733

Frequently Asked Questions

What is the IUPAC name of difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate (CID 15282972) is difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate is O=C(OB(F)F)c1cn(C2CC2)c2c(OC(F)F)c(F)c(F)cc2c1=O.
What is the InChIKey of difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is GLQQXCHKCFJZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BF6NO4/c16-8-3-6-10(12(9(8)17)25-14(18)19)22(5-1-2-5)4-7(11(6)23)13(24)26-15(20)21/h3-5,14H,1-2H2.
What are the key properties of difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate?
difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 379.02 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 15282972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).