7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene

C12H10F4O — CID 11334076

IUPAC7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene
SMILESFC(F)OC12c3ccccc3CCC1C2(F)F
InChIInChI=1S/C12H10F4O/c13-10(14)17-11-8-4-2-1-3-7(8)5-6-9(11)12(11,15)16/h1-4,9-10H,5-6H2
InChIKeyFPKDWYLPXFDGFQ-UHFFFAOYSA-N
MW246.20 g/mol
LogP3.33
Rot. Bonds2

About 7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene

7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene (PubChem CID 11334076) has the molecular formula C12H10F4O and a molecular weight of 246.20 g/mol. Its IUPAC name is 7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene.

Molecular Properties

Compound Name7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene
PubChem CID11334076
Molecular FormulaC12H10F4O
Molecular Weight246.20 g/mol
Exact Mass246.07
IUPAC Name7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene
SMILESFC(F)OC12c3ccccc3CCC1C2(F)F
InChIInChI=1S/C12H10F4O/c13-10(14)17-11-8-4-2-1-3-7(8)5-6-9(11)12(11,15)16/h1-4,9-10H,5-6H2
InChIKeyFPKDWYLPXFDGFQ-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene?
The IUPAC name of 7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene (CID 11334076) is 7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene.
What is the SMILES notation for 7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene?
The canonical SMILES for 7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene is FC(F)OC12c3ccccc3CCC1C2(F)F.
What is the InChIKey of 7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene?
The InChIKey is FPKDWYLPXFDGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4O/c13-10(14)17-11-8-4-2-1-3-7(8)5-6-9(11)12(11,15)16/h1-4,9-10H,5-6H2.
What are the key properties of 7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene?
7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene has a molecular weight of 246.20 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene is sourced from PubChem (CID 11334076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).