6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene

C14H13F3O — CID 58718946

IUPAC6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene
SMILESCCc1cc2ccc(C(F)(F)OC)cc2cc1F
InChIInChI=1S/C14H13F3O/c1-3-9-6-10-4-5-12(14(16,17)18-2)7-11(10)8-13(9)15/h4-8H,3H2,1-2H3
InChIKeyXYGMTMKXXGJZLS-UHFFFAOYSA-N
MW254.25 g/mol
LogP4.24
Rot. Bonds3

About 6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene

6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene (PubChem CID 58718946) has the molecular formula C14H13F3O and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene.

Molecular Properties

Compound Name6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene
PubChem CID58718946
Molecular FormulaC14H13F3O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene
SMILESCCc1cc2ccc(C(F)(F)OC)cc2cc1F
InChIInChI=1S/C14H13F3O/c1-3-9-6-10-4-5-12(14(16,17)18-2)7-11(10)8-13(9)15/h4-8H,3H2,1-2H3
InChIKeyXYGMTMKXXGJZLS-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Naphthalen-2-yl)oxirane
CID 30333
1-Naphthylmethyl methyl ether
CID 22195
2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-biphenyl
CID 18546500
Naphthalan
CID 588214
2,2,2-Trifluoro-1-(naphthalen-2-yl)ethan-1-ol
CID 3765592
9-Anthryloxirane
CID 43720
2-Methoxy-2-(2-naphthyl)acetonitrile
CID 10104166
1a,9a-Dihydrophenanthro(1,2-b)oxirene
CID 148323
1a,9c-Dihydrophenanthro(3,4-b)oxirene
CID 148324
2-Naphthalen-1-yloxetane
CID 18412934
(R)-2,2,2-Trifluoro-1-(2-naphthyl)ethanol
CID 10987939
Naphthalen-2-ylmethyl acetate
CID 349061

Frequently Asked Questions

What is the IUPAC name of 6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene?
The IUPAC name of 6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene (CID 58718946) is 6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene.
What is the SMILES notation for 6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene?
The canonical SMILES for 6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene is CCc1cc2ccc(C(F)(F)OC)cc2cc1F.
What is the InChIKey of 6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene?
The InChIKey is XYGMTMKXXGJZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3O/c1-3-9-6-10-4-5-12(14(16,17)18-2)7-11(10)8-13(9)15/h4-8H,3H2,1-2H3.
What are the key properties of 6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene?
6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene has a molecular weight of 254.25 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene is sourced from PubChem (CID 58718946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).