bis(2-cyclobutyl-3,4-difluorophenyl)methanone

C21H18F4O — CID 73011575

IUPACbis(2-cyclobutyl-3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1C1CCC1)c1ccc(F)c(F)c1C1CCC1
InChIInChI=1S/C21H18F4O/c22-15-9-7-13(17(19(15)24)11-3-1-4-11)21(26)14-8-10-16(23)20(25)18(14)12-5-2-6-12/h7-12H,1-6H2
InChIKeyFIMYQVRYGHQNGV-UHFFFAOYSA-N
MW362.37 g/mol
LogP6.01
Rot. Bonds4

About bis(2-cyclobutyl-3,4-difluorophenyl)methanone

bis(2-cyclobutyl-3,4-difluorophenyl)methanone (PubChem CID 73011575) has the molecular formula C21H18F4O and a molecular weight of 362.37 g/mol. Its IUPAC name is bis(2-cyclobutyl-3,4-difluorophenyl)methanone.

Molecular Properties

Compound Namebis(2-cyclobutyl-3,4-difluorophenyl)methanone
PubChem CID73011575
Molecular FormulaC21H18F4O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Namebis(2-cyclobutyl-3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1C1CCC1)c1ccc(F)c(F)c1C1CCC1
InChIInChI=1S/C21H18F4O/c22-15-9-7-13(17(19(15)24)11-3-1-4-11)21(26)14-8-10-16(23)20(25)18(14)12-5-2-6-12/h7-12H,1-6H2
InChIKeyFIMYQVRYGHQNGV-UHFFFAOYSA-N
XLogP6.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.37
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2-cyclobutyl-3,4,5-trifluorophenyl)methanone
CID 73011573
(4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 115807772
bis(2-cyclobutyl-3,4-dimethylphenyl)methanone
CID 73011576
bis(2-cyclopropyl-3-fluorophenyl)methanone
CID 73011767
6-bicyclo[3.1.0]hexanyl-(2,3,4-trifluorophenyl)methanone
CID 114971689
(2-cyclobutyl-3,4-difluorophenyl) formate
CID 177059742
3-cyclohexyl-1,2-difluoro-4-methylbenzene
CID 131994497
2-cyclobutyl-3-fluorobenzamide
CID 89477243
(2-bromo-3,4-difluorophenyl)-cyclobutylmethanone
CID 107538146
(3-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanone
CID 62964101
2-cyclobutyloxy-3,4-difluorobenzamide
CID 21191364
(2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone
CID 114601779

Frequently Asked Questions

What is the IUPAC name of bis(2-cyclobutyl-3,4-difluorophenyl)methanone?
The IUPAC name of bis(2-cyclobutyl-3,4-difluorophenyl)methanone (CID 73011575) is bis(2-cyclobutyl-3,4-difluorophenyl)methanone.
What is the SMILES notation for bis(2-cyclobutyl-3,4-difluorophenyl)methanone?
The canonical SMILES for bis(2-cyclobutyl-3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1C1CCC1)c1ccc(F)c(F)c1C1CCC1.
What is the InChIKey of bis(2-cyclobutyl-3,4-difluorophenyl)methanone?
The InChIKey is FIMYQVRYGHQNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4O/c22-15-9-7-13(17(19(15)24)11-3-1-4-11)21(26)14-8-10-16(23)20(25)18(14)12-5-2-6-12/h7-12H,1-6H2.
What are the key properties of bis(2-cyclobutyl-3,4-difluorophenyl)methanone?
bis(2-cyclobutyl-3,4-difluorophenyl)methanone has a molecular weight of 362.37 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyclobutyl-3,4-difluorophenyl)methanone is sourced from PubChem (CID 73011575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).