9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene

C20H20F2O — CID 176948033

IUPAC9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene
SMILESCC(C)c1cc2c(cc1F)-c1cc(C3CCC3)c(F)cc1CO2
InChIInChI=1S/C20H20F2O/c1-11(2)14-9-20-17(8-19(14)22)15-7-16(12-4-3-5-12)18(21)6-13(15)10-23-20/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyZMUNBNMDVMGUSD-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.92
Rot. Bonds2

About 9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene

9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene (PubChem CID 176948033) has the molecular formula C20H20F2O and a molecular weight of 314.38 g/mol. Its IUPAC name is 9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene.

Molecular Properties

Compound Name9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene
PubChem CID176948033
Molecular FormulaC20H20F2O
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene
SMILESCC(C)c1cc2c(cc1F)-c1cc(C3CCC3)c(F)cc1CO2
InChIInChI=1S/C20H20F2O/c1-11(2)14-9-20-17(8-19(14)22)15-7-16(12-4-3-5-12)18(21)6-13(15)10-23-20/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyZMUNBNMDVMGUSD-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene?
The IUPAC name of 9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene (CID 176948033) is 9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene.
What is the SMILES notation for 9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene?
The canonical SMILES for 9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene is CC(C)c1cc2c(cc1F)-c1cc(C3CCC3)c(F)cc1CO2.
What is the InChIKey of 9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene?
The InChIKey is ZMUNBNMDVMGUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O/c1-11(2)14-9-20-17(8-19(14)22)15-7-16(12-4-3-5-12)18(21)6-13(15)10-23-20/h6-9,11-12H,3-5,10H2,1-2H3.
What are the key properties of 9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene?
9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene has a molecular weight of 314.38 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclobutyl-2,8-difluoro-3-propan-2-yl-6H-benzo[c]chromene is sourced from PubChem (CID 176948033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).