ethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene

C15H14F2 — CID 176661121

IUPACethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene
SMILESC#Cc1c(F)ccc2c(F)ccc(C)c12.CC
InChIInChI=1S/C13H8F2.C2H6/c1-3-9-11(14)7-5-10-12(15)6-4-8(2)13(9)10;1-2/h1,4-7H,2H3;1-2H3
InChIKeyGWOFVITZJHWHRI-UHFFFAOYSA-N
MW232.27 g/mol
LogP4.43
Rot. Bonds

About ethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene

ethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene (PubChem CID 176661121) has the molecular formula C15H14F2 and a molecular weight of 232.27 g/mol. Its IUPAC name is ethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene.

Molecular Properties

Compound Nameethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene
PubChem CID176661121
Molecular FormulaC15H14F2
Molecular Weight232.27 g/mol
Exact Mass232.11
IUPAC Nameethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene
SMILESC#Cc1c(F)ccc2c(F)ccc(C)c12.CC
InChIInChI=1S/C13H8F2.C2H6/c1-3-9-11(14)7-5-10-12(15)6-4-8(2)13(9)10;1-2/h1,4-7H,2H3;1-2H3
InChIKeyGWOFVITZJHWHRI-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-ethynyl-3,6-difluoro-4-methylnaphthalen-2-amine
CID 176919371
2-chloro-8-ethynyl-7-fluoro-3-methyl-1-propan-2-ylnaphthalene
CID 178101533
8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene
CID 170619043
8-(1-chloroethenyl)-7-methylnaphthalene-1,3-diamine;ethane;5-ethynyl-6-fluoro-4-methylnaphthalen-2-amine
CID 178161094
5-ethynyl-6-fluoro-1-heptan-2-ylnaphthalen-2-amine
CID 175851143
ethane;ethene;1-ethynyl-2-fluoro-4-methylbenzene
CID 145318075
ethane;1-ethynyl-2,5-difluoro-4-methylbenzene
CID 143826354
2-ethynyl-1,3,4-trifluoro-5-methylbenzene
CID 53249704
2-ethynyl-1-fluoro-3,5-dimethylbenzene
CID 106882406
4-ethynyl-2-fluoro-1-methylbenzene
CID 22112316
5-ethynyl-6-fluoronaphthalen-2-ol;dihydrochloride
CID 175839598
1-ethynyl-2,6-dimethylnaphthalene
CID 142157789

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene?
The IUPAC name of ethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene (CID 176661121) is ethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene.
What is the SMILES notation for ethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene?
The canonical SMILES for ethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene is C#Cc1c(F)ccc2c(F)ccc(C)c12.CC.
What is the InChIKey of ethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene?
The InChIKey is GWOFVITZJHWHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2.C2H6/c1-3-9-11(14)7-5-10-12(15)6-4-8(2)13(9)10;1-2/h1,4-7H,2H3;1-2H3.
What are the key properties of ethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene?
ethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene has a molecular weight of 232.27 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene is sourced from PubChem (CID 176661121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).