2-butyl-7-fluoro-1,4-dihydronaphthalene

C14H17F — CID 139961729

IUPAC2-butyl-7-fluoro-1,4-dihydronaphthalene
SMILESCCCCC1=CCc2ccc(F)cc2C1
InChIInChI=1S/C14H17F/c1-2-3-4-11-5-6-12-7-8-14(15)10-13(12)9-11/h5,7-8,10H,2-4,6,9H2,1H3
InChIKeySLVFHBMVFNGWEG-UHFFFAOYSA-N
MW204.29 g/mol
LogP4.04
Rot. Bonds3

About 2-butyl-7-fluoro-1,4-dihydronaphthalene

2-butyl-7-fluoro-1,4-dihydronaphthalene (PubChem CID 139961729) has the molecular formula C14H17F and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-butyl-7-fluoro-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-butyl-7-fluoro-1,4-dihydronaphthalene
PubChem CID139961729
Molecular FormulaC14H17F
Molecular Weight204.29 g/mol
Exact Mass204.13
IUPAC Name2-butyl-7-fluoro-1,4-dihydronaphthalene
SMILESCCCCC1=CCc2ccc(F)cc2C1
InChIInChI=1S/C14H17F/c1-2-3-4-11-5-6-12-7-8-14(15)10-13(12)9-11/h5,7-8,10H,2-4,6,9H2,1H3
InChIKeySLVFHBMVFNGWEG-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-5,7-difluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139948913
2-butyl-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961543
2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961869
6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene
CID 139961545
5-fluoro-2-hexyl-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139960719
2-ethyl-7-methyl-1,4-dihydronaphthalene
CID 123842957
(4-fluorophenyl) 3-fluoro-6-propyl-5,8-dihydronaphthalene-2-carboxylate
CID 139961721
2-[2-(4-butylcyclohexyl)ethyl]-5,7-difluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139948908
2-[2-(4-pentylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948981
1-pentylcyclopropene
CID 159067584
2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139961504
2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene
CID 139961655

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-fluoro-1,4-dihydronaphthalene?
The IUPAC name of 2-butyl-7-fluoro-1,4-dihydronaphthalene (CID 139961729) is 2-butyl-7-fluoro-1,4-dihydronaphthalene.
What is the SMILES notation for 2-butyl-7-fluoro-1,4-dihydronaphthalene?
The canonical SMILES for 2-butyl-7-fluoro-1,4-dihydronaphthalene is CCCCC1=CCc2ccc(F)cc2C1.
What is the InChIKey of 2-butyl-7-fluoro-1,4-dihydronaphthalene?
The InChIKey is SLVFHBMVFNGWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F/c1-2-3-4-11-5-6-12-7-8-14(15)10-13(12)9-11/h5,7-8,10H,2-4,6,9H2,1H3.
What are the key properties of 2-butyl-7-fluoro-1,4-dihydronaphthalene?
2-butyl-7-fluoro-1,4-dihydronaphthalene has a molecular weight of 204.29 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-fluoro-1,4-dihydronaphthalene is sourced from PubChem (CID 139961729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).