2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene

C15H14F2O — CID 116841772

IUPAC2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(F)(F)C3CC3)ccc2c1
InChIInChI=1S/C15H14F2O/c1-18-14-7-3-10-8-13(4-2-11(10)9-14)15(16,17)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3
InChIKeyFSNZPFHYZYWHBH-UHFFFAOYSA-N
MW248.27 g/mol
LogP4.35
Rot. Bonds3

About 2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene

2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene (PubChem CID 116841772) has the molecular formula C15H14F2O and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene.

Molecular Properties

Compound Name2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene
PubChem CID116841772
Molecular FormulaC15H14F2O
Molecular Weight248.27 g/mol
Exact Mass248.10
IUPAC Name2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(F)(F)C3CC3)ccc2c1
InChIInChI=1S/C15H14F2O/c1-18-14-7-3-10-8-13(4-2-11(10)9-14)15(16,17)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3
InChIKeyFSNZPFHYZYWHBH-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene?
The IUPAC name of 2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene (CID 116841772) is 2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene.
What is the SMILES notation for 2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene?
The canonical SMILES for 2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene is COc1ccc2cc(C(F)(F)C3CC3)ccc2c1.
What is the InChIKey of 2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene?
The InChIKey is FSNZPFHYZYWHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O/c1-18-14-7-3-10-8-13(4-2-11(10)9-14)15(16,17)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3.
What are the key properties of 2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene?
2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene has a molecular weight of 248.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene is sourced from PubChem (CID 116841772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).