5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane

C14H18F2O — CID 177203361

IUPAC5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane
SMILESCC.Cc1cc(O)cc2c1C(=C(F)F)CCC2
InChIInChI=1S/C12H12F2O.C2H6/c1-7-5-9(15)6-8-3-2-4-10(11(7)8)12(13)14;1-2/h5-6,15H,2-4H2,1H3;1-2H3
InChIKeySXOHVIVTFYLAAZ-UHFFFAOYSA-N
MW240.29 g/mol
LogP4.67
Rot. Bonds

About 5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane

5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane (PubChem CID 177203361) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane.

Molecular Properties

Compound Name5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane
PubChem CID177203361
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane
SMILESCC.Cc1cc(O)cc2c1C(=C(F)F)CCC2
InChIInChI=1S/C12H12F2O.C2H6/c1-7-5-9(15)6-8-3-2-4-10(11(7)8)12(13)14;1-2/h5-6,15H,2-4H2,1H3;1-2H3
InChIKeySXOHVIVTFYLAAZ-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane?
The IUPAC name of 5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane (CID 177203361) is 5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane.
What is the SMILES notation for 5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane?
The canonical SMILES for 5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane is CC.Cc1cc(O)cc2c1C(=C(F)F)CCC2.
What is the InChIKey of 5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane?
The InChIKey is SXOHVIVTFYLAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O.C2H6/c1-7-5-9(15)6-8-3-2-4-10(11(7)8)12(13)14;1-2/h5-6,15H,2-4H2,1H3;1-2H3.
What are the key properties of 5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane?
5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane has a molecular weight of 240.29 g/mol, XLogP of 4.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylidene)-4-methyl-7,8-dihydro-6H-naphthalen-2-ol;ethane is sourced from PubChem (CID 177203361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).