1-ethyl-5-fluoro-2-methylnaphthalene

C13H13F — CID 146553959

IUPAC1-ethyl-5-fluoro-2-methylnaphthalene
SMILESCCc1c(C)ccc2c(F)cccc12
InChIInChI=1S/C13H13F/c1-3-10-9(2)7-8-12-11(10)5-4-6-13(12)14/h4-8H,3H2,1-2H3
InChIKeyKYCGZJPGTLBWOE-UHFFFAOYSA-N
MW188.24 g/mol
LogP3.85
Rot. Bonds1

About 1-ethyl-5-fluoro-2-methylnaphthalene

1-ethyl-5-fluoro-2-methylnaphthalene (PubChem CID 146553959) has the molecular formula C13H13F and a molecular weight of 188.24 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-methylnaphthalene.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-methylnaphthalene
PubChem CID146553959
Molecular FormulaC13H13F
Molecular Weight188.24 g/mol
Exact Mass188.10
IUPAC Name1-ethyl-5-fluoro-2-methylnaphthalene
SMILESCCc1c(C)ccc2c(F)cccc12
InChIInChI=1S/C13H13F/c1-3-10-9(2)7-8-12-11(10)5-4-6-13(12)14/h4-8H,3H2,1-2H3
InChIKeyKYCGZJPGTLBWOE-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-2-methylnaphthalene?
The IUPAC name of 1-ethyl-5-fluoro-2-methylnaphthalene (CID 146553959) is 1-ethyl-5-fluoro-2-methylnaphthalene.
What is the SMILES notation for 1-ethyl-5-fluoro-2-methylnaphthalene?
The canonical SMILES for 1-ethyl-5-fluoro-2-methylnaphthalene is CCc1c(C)ccc2c(F)cccc12.
What is the InChIKey of 1-ethyl-5-fluoro-2-methylnaphthalene?
The InChIKey is KYCGZJPGTLBWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F/c1-3-10-9(2)7-8-12-11(10)5-4-6-13(12)14/h4-8H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-fluoro-2-methylnaphthalene?
1-ethyl-5-fluoro-2-methylnaphthalene has a molecular weight of 188.24 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2-methylnaphthalene is sourced from PubChem (CID 146553959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).