6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol

C11H9BrF2O — CID 139022838

IUPAC6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol
SMILESOC12c3cc(Br)ccc3CCC1C2(F)F
InChIInChI=1S/C11H9BrF2O/c12-7-3-1-6-2-4-9-10(15,8(6)5-7)11(9,13)14/h1,3,5,9,15H,2,4H2
InChIKeyLETFMLLTNPPFFE-UHFFFAOYSA-N
MW275.09 g/mol
LogP2.85
Rot. Bonds

About 6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol

6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol (PubChem CID 139022838) has the molecular formula C11H9BrF2O and a molecular weight of 275.09 g/mol. Its IUPAC name is 6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol.

Molecular Properties

Compound Name6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol
PubChem CID139022838
Molecular FormulaC11H9BrF2O
Molecular Weight275.09 g/mol
Exact Mass273.98
IUPAC Name6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol
SMILESOC12c3cc(Br)ccc3CCC1C2(F)F
InChIInChI=1S/C11H9BrF2O/c12-7-3-1-6-2-4-9-10(15,8(6)5-7)11(9,13)14/h1,3,5,9,15H,2,4H2
InChIKeyLETFMLLTNPPFFE-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol?
The IUPAC name of 6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol (CID 139022838) is 6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol.
What is the SMILES notation for 6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol?
The canonical SMILES for 6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol is OC12c3cc(Br)ccc3CCC1C2(F)F.
What is the InChIKey of 6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol?
The InChIKey is LETFMLLTNPPFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2O/c12-7-3-1-6-2-4-9-10(15,8(6)5-7)11(9,13)14/h1,3,5,9,15H,2,4H2.
What are the key properties of 6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol?
6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol has a molecular weight of 275.09 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol is sourced from PubChem (CID 139022838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).