8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene

C15H13F — CID 170619043

IUPAC8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene
SMILESC#Cc1c(F)ccc2cc(C)cc(CC)c12
InChIInChI=1S/C15H13F/c1-4-11-8-10(3)9-12-6-7-14(16)13(5-2)15(11)12/h2,6-9H,4H2,1,3H3
InChIKeyJIMYKHLVCCGYQS-UHFFFAOYSA-N
MW212.27 g/mol
LogP3.83
Rot. Bonds1

About 8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene

8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene (PubChem CID 170619043) has the molecular formula C15H13F and a molecular weight of 212.27 g/mol. Its IUPAC name is 8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene.

Molecular Properties

Compound Name8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene
PubChem CID170619043
Molecular FormulaC15H13F
Molecular Weight212.27 g/mol
Exact Mass212.10
IUPAC Name8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene
SMILESC#Cc1c(F)ccc2cc(C)cc(CC)c12
InChIInChI=1S/C15H13F/c1-4-11-8-10(3)9-12-6-7-14(16)13(5-2)15(11)12/h2,6-9H,4H2,1,3H3
InChIKeyJIMYKHLVCCGYQS-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine
CID 172514429
5-ethynyl-3,6-difluoro-4-methylnaphthalen-2-amine
CID 176919371
8-chloro-1-ethyl-3-methylnaphthalene
CID 169255808
2-chloro-8-ethynyl-7-fluoro-3-methyl-1-propan-2-ylnaphthalene
CID 178101533
ethane;1-ethynyl-2,5-difluoro-8-methylnaphthalene
CID 176661121
2-ethynyl-1-fluoro-3,5-dimethylbenzene
CID 106882406
8-bromo-1,2-difluoro-6-methylnaphthalene
CID 174273019
2-(7-fluoro-3-methyl-8-prop-1-ynylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane
CID 176739878
methoxymethyl N-(5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl)carbamate
CID 178101861
N,N-diethyl-4-ethynyl-3-fluorobenzamide
CID 154814888
ethane;4-ethyl-5-ethynyl-6,7,8-trifluoronaphthalen-2-ol
CID 176951772
ethane;4-ethyl-5-ethynyl-7,8-difluoronaphthalen-2-ol
CID 178101638

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene?
The IUPAC name of 8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene (CID 170619043) is 8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene.
What is the SMILES notation for 8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene?
The canonical SMILES for 8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene is C#Cc1c(F)ccc2cc(C)cc(CC)c12.
What is the InChIKey of 8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene?
The InChIKey is JIMYKHLVCCGYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F/c1-4-11-8-10(3)9-12-6-7-14(16)13(5-2)15(11)12/h2,6-9H,4H2,1,3H3.
What are the key properties of 8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene?
8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene has a molecular weight of 212.27 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene is sourced from PubChem (CID 170619043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).