(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone

C17H16F2O — CID 116543370

IUPAC(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1cccc(C(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C17H16F2O/c1-11(2)9-12-5-3-6-13(10-12)17(20)16-14(18)7-4-8-15(16)19/h3-8,10-11H,9H2,1-2H3
InChIKeyQACIGKPFJPFOBB-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.39
Rot. Bonds4

About (2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone

(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone (PubChem CID 116543370) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
PubChem CID116543370
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1cccc(C(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C17H16F2O/c1-11(2)9-12-5-3-6-13(10-12)17(20)16-14(18)7-4-8-15(16)19/h3-8,10-11H,9H2,1-2H3
InChIKeyQACIGKPFJPFOBB-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 115812361
2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543144
(4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543206
(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543423
2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543307
[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
CID 116543089
3-(2-methylpropyl)benzamide
CID 23130390
fluoro 3-(2-methylpropyl)benzoate
CID 176661814
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 114032586
(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107101871

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone (CID 116543370) is (2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone is CC(C)Cc1cccc(C(=O)c2c(F)cccc2F)c1.
What is the InChIKey of (2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The InChIKey is QACIGKPFJPFOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-11(2)9-12-5-3-6-13(10-12)17(20)16-14(18)7-4-8-15(16)19/h3-8,10-11H,9H2,1-2H3.
What are the key properties of (2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone has a molecular weight of 274.31 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 116543370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).