2-[difluoro(methoxy)methyl]-6-pentylnaphthalene

C17H20F2O — CID 58719118

IUPAC2-[difluoro(methoxy)methyl]-6-pentylnaphthalene
SMILESCCCCCc1ccc2cc(C(F)(F)OC)ccc2c1
InChIInChI=1S/C17H20F2O/c1-3-4-5-6-13-7-8-15-12-16(17(18,19)20-2)10-9-14(15)11-13/h7-12H,3-6H2,1-2H3
InChIKeyXOTHRHYASLRPLL-UHFFFAOYSA-N
MW278.34 g/mol
LogP5.27
Rot. Bonds6

About 2-[difluoro(methoxy)methyl]-6-pentylnaphthalene

2-[difluoro(methoxy)methyl]-6-pentylnaphthalene (PubChem CID 58719118) has the molecular formula C17H20F2O and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[difluoro(methoxy)methyl]-6-pentylnaphthalene.

Molecular Properties

Compound Name2-[difluoro(methoxy)methyl]-6-pentylnaphthalene
PubChem CID58719118
Molecular FormulaC17H20F2O
Molecular Weight278.34 g/mol
Exact Mass278.15
IUPAC Name2-[difluoro(methoxy)methyl]-6-pentylnaphthalene
SMILESCCCCCc1ccc2cc(C(F)(F)OC)ccc2c1
InChIInChI=1S/C17H20F2O/c1-3-4-5-6-13-7-8-15-12-16(17(18,19)20-2)10-9-14(15)11-13/h7-12H,3-6H2,1-2H3
InChIKeyXOTHRHYASLRPLL-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.34
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
2,2,2-Trifluoro-1-(naphthalen-2-yl)ethan-1-ol
CID 3765592
5-Fluoro-7-hydroxymethyl 12-methylbenzanthracene acetate
CID 128899
9-Anthryloxirane
CID 43720
4,4-Bis(methoxymethyl)biphenyl
CID 1519430
2-(2-Naphthyl)-2-(pentyloxy)acetonitrile
CID 10400018
1a,9a-Dihydrophenanthro(1,2-b)oxirene
CID 148323
1a,9c-Dihydrophenanthro(3,4-b)oxirene
CID 148324
Pyrene-1,2-oxide
CID 9543286
2-Naphthalen-1-yloxetane
CID 18412934

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(methoxy)methyl]-6-pentylnaphthalene?
The IUPAC name of 2-[difluoro(methoxy)methyl]-6-pentylnaphthalene (CID 58719118) is 2-[difluoro(methoxy)methyl]-6-pentylnaphthalene.
What is the SMILES notation for 2-[difluoro(methoxy)methyl]-6-pentylnaphthalene?
The canonical SMILES for 2-[difluoro(methoxy)methyl]-6-pentylnaphthalene is CCCCCc1ccc2cc(C(F)(F)OC)ccc2c1.
What is the InChIKey of 2-[difluoro(methoxy)methyl]-6-pentylnaphthalene?
The InChIKey is XOTHRHYASLRPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2O/c1-3-4-5-6-13-7-8-15-12-16(17(18,19)20-2)10-9-14(15)11-13/h7-12H,3-6H2,1-2H3.
What are the key properties of 2-[difluoro(methoxy)methyl]-6-pentylnaphthalene?
2-[difluoro(methoxy)methyl]-6-pentylnaphthalene has a molecular weight of 278.34 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(methoxy)methyl]-6-pentylnaphthalene is sourced from PubChem (CID 58719118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).