2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene

C18H17F — CID 139961869

IUPAC2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene
SMILESCCc1ccc(C2=CCc3ccc(F)cc3C2)cc1
InChIInChI=1S/C18H17F/c1-2-13-3-5-14(6-4-13)16-8-7-15-9-10-18(19)12-17(15)11-16/h3-6,8-10,12H,2,7,11H2,1H3
InChIKeyMZYDXGQHPYEUNF-UHFFFAOYSA-N
MW252.33 g/mol
LogP4.57
Rot. Bonds2

About 2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene

2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene (PubChem CID 139961869) has the molecular formula C18H17F and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene
PubChem CID139961869
Molecular FormulaC18H17F
Molecular Weight252.33 g/mol
Exact Mass252.13
IUPAC Name2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene
SMILESCCc1ccc(C2=CCc3ccc(F)cc3C2)cc1
InChIInChI=1S/C18H17F/c1-2-13-3-5-14(6-4-13)16-8-7-15-9-10-18(19)12-17(15)11-16/h3-6,8-10,12H,2,7,11H2,1H3
InChIKeyMZYDXGQHPYEUNF-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961745
2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene
CID 139961655
2-(4-ethylphenyl)-5-fluoro-6-methoxy-1,4-dihydronaphthalene
CID 139960710
2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139961504
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
2-butyl-7-fluoro-1,4-dihydronaphthalene
CID 139961729
6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139948778
2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene
CID 139961550
2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961496
5-[2-(4-ethylphenyl)ethyl]-2-(4-propylphenyl)-1H-indene
CID 140812744
2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961736
1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile
CID 139948659

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene?
The IUPAC name of 2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene (CID 139961869) is 2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene.
What is the SMILES notation for 2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene?
The canonical SMILES for 2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene is CCc1ccc(C2=CCc3ccc(F)cc3C2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene?
The InChIKey is MZYDXGQHPYEUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F/c1-2-13-3-5-14(6-4-13)16-8-7-15-9-10-18(19)12-17(15)11-16/h3-6,8-10,12H,2,7,11H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene?
2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene has a molecular weight of 252.33 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene is sourced from PubChem (CID 139961869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).