2-ethyl-6-fluoronaphthalene

C12H11F — CID 58787061

IUPAC2-ethyl-6-fluoronaphthalene
SMILESCCc1ccc2cc(F)ccc2c1
InChIInChI=1S/C12H11F/c1-2-9-3-4-11-8-12(13)6-5-10(11)7-9/h3-8H,2H2,1H3
InChIKeyMESDVLQCZSMTCL-UHFFFAOYSA-N
MW174.22 g/mol
LogP3.54
Rot. Bonds1

About 2-ethyl-6-fluoronaphthalene

2-ethyl-6-fluoronaphthalene (PubChem CID 58787061) has the molecular formula C12H11F and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-ethyl-6-fluoronaphthalene.

Molecular Properties

Compound Name2-ethyl-6-fluoronaphthalene
PubChem CID58787061
Molecular FormulaC12H11F
Molecular Weight174.22 g/mol
Exact Mass174.08
IUPAC Name2-ethyl-6-fluoronaphthalene
SMILESCCc1ccc2cc(F)ccc2c1
InChIInChI=1S/C12H11F/c1-2-9-3-4-11-8-12(13)6-5-10(11)7-9/h3-8H,2H2,1H3
InChIKeyMESDVLQCZSMTCL-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-ethyl-6-fluoronaphthalene 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

2-ethyl-7-(4-fluorophenyl)phenanthrene
CID 139883413
2-[2-[4-[2-(4-ethyl-2-fluorophenyl)ethynyl]-2-fluorophenyl]ethynyl]-6-fluoronaphthalene
CID 139858954
ethane;2-ethylnaphthalene
CID 90684887
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
2,6-bis(6-ethylnaphthalen-2-yl)anthracene
CID 59141275
6-ethylnaphthalene-2-thiol
CID 139481477
(6-ethylnaphthalen-2-yl)methyl-trimethylsilane
CID 134960161
bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene
CID 143106792
2-(bromomethyl)-7-fluoronaphthalene
CID 23292295
2-ethylnaphthalene;N-methylmethanamine;hydrochloride
CID 70022653
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene
CID 170963415

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoronaphthalene?
The IUPAC name of 2-ethyl-6-fluoronaphthalene (CID 58787061) is 2-ethyl-6-fluoronaphthalene.
What is the SMILES notation for 2-ethyl-6-fluoronaphthalene?
The canonical SMILES for 2-ethyl-6-fluoronaphthalene is CCc1ccc2cc(F)ccc2c1.
What is the InChIKey of 2-ethyl-6-fluoronaphthalene?
The InChIKey is MESDVLQCZSMTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F/c1-2-9-3-4-11-8-12(13)6-5-10(11)7-9/h3-8H,2H2,1H3.
What are the key properties of 2-ethyl-6-fluoronaphthalene?
2-ethyl-6-fluoronaphthalene has a molecular weight of 174.22 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoronaphthalene is sourced from PubChem (CID 58787061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).