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

C19H24F2O — CID 58719120

IUPAC2-[difluoro(methoxy)methyl]-6-heptylnaphthalene
SMILESCCCCCCCc1ccc2cc(C(F)(F)OC)ccc2c1
InChIInChI=1S/C19H24F2O/c1-3-4-5-6-7-8-15-9-10-17-14-18(19(20,21)22-2)12-11-16(17)13-15/h9-14H,3-8H2,1-2H3
InChIKeyMXKVROILWJWPHW-UHFFFAOYSA-N
MW306.40 g/mol
LogP6.05
Rot. Bonds8

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

2-[difluoro(methoxy)methyl]-6-heptylnaphthalene (PubChem CID 58719120) has the molecular formula C19H24F2O and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[difluoro(methoxy)methyl]-6-heptylnaphthalene.

Molecular Properties

Compound Name2-[difluoro(methoxy)methyl]-6-heptylnaphthalene
PubChem CID58719120
Molecular FormulaC19H24F2O
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name2-[difluoro(methoxy)methyl]-6-heptylnaphthalene
SMILESCCCCCCCc1ccc2cc(C(F)(F)OC)ccc2c1
InChIInChI=1S/C19H24F2O/c1-3-4-5-6-7-8-15-9-10-17-14-18(19(20,21)22-2)12-11-16(17)13-15/h9-14H,3-8H2,1-2H3
InChIKeyMXKVROILWJWPHW-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.40
LogP ≤ 56.05
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-heptylnaphthalene?
The IUPAC name of 2-[difluoro(methoxy)methyl]-6-heptylnaphthalene (CID 58719120) is 2-[difluoro(methoxy)methyl]-6-heptylnaphthalene.
What is the SMILES notation for 2-[difluoro(methoxy)methyl]-6-heptylnaphthalene?
The canonical SMILES for 2-[difluoro(methoxy)methyl]-6-heptylnaphthalene is CCCCCCCc1ccc2cc(C(F)(F)OC)ccc2c1.
What is the InChIKey of 2-[difluoro(methoxy)methyl]-6-heptylnaphthalene?
The InChIKey is MXKVROILWJWPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2O/c1-3-4-5-6-7-8-15-9-10-17-14-18(19(20,21)22-2)12-11-16(17)13-15/h9-14H,3-8H2,1-2H3.
What are the key properties of 2-[difluoro(methoxy)methyl]-6-heptylnaphthalene?
2-[difluoro(methoxy)methyl]-6-heptylnaphthalene has a molecular weight of 306.40 g/mol, XLogP of 6.05, 8 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-heptylnaphthalene is sourced from PubChem (CID 58719120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).