1-(1,1-difluoroethoxy)-4-methylnaphthalene

C13H12F2O — CID 160938661

IUPAC1-(1,1-difluoroethoxy)-4-methylnaphthalene
SMILESCc1ccc(OC(C)(F)F)c2ccccc12
InChIInChI=1S/C13H12F2O/c1-9-7-8-12(16-13(2,14)15)11-6-4-3-5-10(9)11/h3-8H,1-2H3
InChIKeySUFCWWHRWIICFG-UHFFFAOYSA-N
MW222.23 g/mol
LogP4.14
Rot. Bonds2

About 1-(1,1-difluoroethoxy)-4-methylnaphthalene

1-(1,1-difluoroethoxy)-4-methylnaphthalene (PubChem CID 160938661) has the molecular formula C13H12F2O and a molecular weight of 222.23 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-4-methylnaphthalene.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-4-methylnaphthalene
PubChem CID160938661
Molecular FormulaC13H12F2O
Molecular Weight222.23 g/mol
Exact Mass222.09
IUPAC Name1-(1,1-difluoroethoxy)-4-methylnaphthalene
SMILESCc1ccc(OC(C)(F)F)c2ccccc12
InChIInChI=1S/C13H12F2O/c1-9-7-8-12(16-13(2,14)15)11-6-4-3-5-10(9)11/h3-8H,1-2H3
InChIKeySUFCWWHRWIICFG-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(trideuteriomethoxy)naphthalene
CID 101106578
[2-(1,1-difluoroethoxy)phenyl]boronic acid
CID 143235545
1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene
CID 90450784
1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene
CID 173196133
3-(4-methylnaphthalen-1-yl)oxypropan-1-ol
CID 15349996
1-cyclopentyloxy-4-methylnaphthalene
CID 143504942
1-(1,1-difluoroethoxy)-2-ethylbenzene
CID 144727435
9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
CID 160811650
CID 11133612
CID 11133612
1-(2-cyclohexylethoxy)-4-methylnaphthalene
CID 123891413
dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium
CID 140681326

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)-4-methylnaphthalene?
The IUPAC name of 1-(1,1-difluoroethoxy)-4-methylnaphthalene (CID 160938661) is 1-(1,1-difluoroethoxy)-4-methylnaphthalene.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-4-methylnaphthalene?
The canonical SMILES for 1-(1,1-difluoroethoxy)-4-methylnaphthalene is Cc1ccc(OC(C)(F)F)c2ccccc12.
What is the InChIKey of 1-(1,1-difluoroethoxy)-4-methylnaphthalene?
The InChIKey is SUFCWWHRWIICFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O/c1-9-7-8-12(16-13(2,14)15)11-6-4-3-5-10(9)11/h3-8H,1-2H3.
What are the key properties of 1-(1,1-difluoroethoxy)-4-methylnaphthalene?
1-(1,1-difluoroethoxy)-4-methylnaphthalene has a molecular weight of 222.23 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-4-methylnaphthalene is sourced from PubChem (CID 160938661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).