cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone

C16H16F2O2 — CID 66777401

IUPACcyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)C2CCCCC2)oc2c(F)cc(F)cc12
InChIInChI=1S/C16H16F2O2/c1-9-12-7-11(17)8-13(18)16(12)20-15(9)14(19)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyQZFLPVKTFJVNEU-UHFFFAOYSA-N
MW278.30 g/mol
LogP4.78
Rot. Bonds2

About cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone

cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 66777401) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID66777401
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Namecyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)C2CCCCC2)oc2c(F)cc(F)cc12
InChIInChI=1S/C16H16F2O2/c1-9-12-7-11(17)8-13(18)16(12)20-15(9)14(19)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyQZFLPVKTFJVNEU-UHFFFAOYSA-N
XLogP4.78
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone (CID 66777401) is cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)C2CCCCC2)oc2c(F)cc(F)cc12.
What is the InChIKey of cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is QZFLPVKTFJVNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-9-12-7-11(17)8-13(18)16(12)20-15(9)14(19)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone?
cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 278.30 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 66777401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).