(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone

C18H16F2O — CID 115814484

IUPAC(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cccc(C3CCC3)c2)c1F
InChIInChI=1S/C18H16F2O/c1-11-8-9-15(19)16(17(11)20)18(21)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12H,2,4-5H2,1H3
InChIKeyOLLOORIGNYFYPN-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.77
Rot. Bonds3

About (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone

(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone (PubChem CID 115814484) has the molecular formula C18H16F2O and a molecular weight of 286.32 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
PubChem CID115814484
Molecular FormulaC18H16F2O
Molecular Weight286.32 g/mol
Exact Mass286.12
IUPAC Name(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cccc(C3CCC3)c2)c1F
InChIInChI=1S/C18H16F2O/c1-11-8-9-15(19)16(17(11)20)18(21)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12H,2,4-5H2,1H3
InChIKeyOLLOORIGNYFYPN-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 116548682
4-(3-cyclononylbenzoyl)-2,3,5,6-tetrafluorobenzenesulfonic acid
CID 148947887
(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone
CID 114602102
(4-aminophenyl)-(3-cyclobutylphenyl)methanone
CID 114607433
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115839118
(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
(3-cyclobutylphenyl)-thiophen-3-ylmethanone
CID 114601713
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
(3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone
CID 105135149
methyl 3-cyclohexylbenzoate
CID 67160762
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447908

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone?
The IUPAC name of (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone (CID 115814484) is (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone.
What is the SMILES notation for (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone?
The canonical SMILES for (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone is Cc1ccc(F)c(C(=O)c2cccc(C3CCC3)c2)c1F.
What is the InChIKey of (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone?
The InChIKey is OLLOORIGNYFYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2O/c1-11-8-9-15(19)16(17(11)20)18(21)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12H,2,4-5H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone?
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone has a molecular weight of 286.32 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone is sourced from PubChem (CID 115814484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).