6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one

C11H12F2O2 — CID 118609109

IUPAC6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one
SMILESO=C1CCCC2C=C(OC(F)F)C=CC12
InChIInChI=1S/C11H12F2O2/c12-11(13)15-8-4-5-9-7(6-8)2-1-3-10(9)14/h4-7,9,11H,1-3H2
InChIKeyAFILWKHRUPVDDL-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.66
Rot. Bonds2

About 6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one

6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one (PubChem CID 118609109) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one
PubChem CID118609109
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one
SMILESO=C1CCCC2C=C(OC(F)F)C=CC12
InChIInChI=1S/C11H12F2O2/c12-11(13)15-8-4-5-9-7(6-8)2-1-3-10(9)14/h4-7,9,11H,1-3H2
InChIKeyAFILWKHRUPVDDL-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one (CID 118609109) is 6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one is O=C1CCCC2C=C(OC(F)F)C=CC12.
What is the InChIKey of 6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one?
The InChIKey is AFILWKHRUPVDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c12-11(13)15-8-4-5-9-7(6-8)2-1-3-10(9)14/h4-7,9,11H,1-3H2.
What are the key properties of 6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one?
6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one has a molecular weight of 214.21 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-3,4,4a,8a-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 118609109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).