1-ethyl-7-fluoronaphthalene

C12H11F — CID 166534047

IUPAC1-ethyl-7-fluoronaphthalene
SMILESCCc1cccc2ccc(F)cc12
InChIInChI=1S/C12H11F/c1-2-9-4-3-5-10-6-7-11(13)8-12(9)10/h3-8H,2H2,1H3
InChIKeyXIFVCJHHQBYJEC-UHFFFAOYSA-N
MW174.22 g/mol
LogP3.54
Rot. Bonds1

About 1-ethyl-7-fluoronaphthalene

1-ethyl-7-fluoronaphthalene (PubChem CID 166534047) has the molecular formula C12H11F and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-ethyl-7-fluoronaphthalene.

Molecular Properties

Compound Name1-ethyl-7-fluoronaphthalene
PubChem CID166534047
Molecular FormulaC12H11F
Molecular Weight174.22 g/mol
Exact Mass174.08
IUPAC Name1-ethyl-7-fluoronaphthalene
SMILESCCc1cccc2ccc(F)cc12
InChIInChI=1S/C12H11F/c1-2-9-4-3-5-10-6-7-11(13)8-12(9)10/h3-8H,2H2,1H3
InChIKeyXIFVCJHHQBYJEC-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

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Related Compounds

1-ethyl-7-methylnaphthalene
CID 12778771
ethane;1-ethyl-7-methylnaphthalene
CID 91014752
(7-fluoronaphthalen-1-yl) methanesulfonate
CID 87898850
8-ethylnaphthalene-2-carboxylic acid
CID 151555828
azane;1-ethylnaphthalene
CID 19048185
1-ethylnaphthalene;pyrene
CID 174849884
7-fluoro-N-methylnaphthalen-1-amine
CID 131178796
sodium;1-ethylnaphthalene;hydride
CID 174300793
1-ethyl-7-(trifluoromethyl)anthracene
CID 151657359
sodium 8-ethylnaphthalene-2-sulfinate
CID 23706321
1-ethyl-7-(trideuteriomethoxy)naphthalene
CID 59140735
2-ethyl-4-fluorobenzenethiol
CID 91874071

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-fluoronaphthalene?
The IUPAC name of 1-ethyl-7-fluoronaphthalene (CID 166534047) is 1-ethyl-7-fluoronaphthalene.
What is the SMILES notation for 1-ethyl-7-fluoronaphthalene?
The canonical SMILES for 1-ethyl-7-fluoronaphthalene is CCc1cccc2ccc(F)cc12.
What is the InChIKey of 1-ethyl-7-fluoronaphthalene?
The InChIKey is XIFVCJHHQBYJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F/c1-2-9-4-3-5-10-6-7-11(13)8-12(9)10/h3-8H,2H2,1H3.
What are the key properties of 1-ethyl-7-fluoronaphthalene?
1-ethyl-7-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 1-ethyl-7-fluoronaphthalene is sourced from PubChem (CID 166534047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).