1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene

C13H11F — CID 172616698

IUPAC1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene
SMILESCC(C)c1ccc(F)c2ccc#cc12
InChIInChI=1S/C13H11F/c1-9(2)10-7-8-13(14)12-6-4-3-5-11(10)12/h4,6-9H,1-2H3
InChIKeyZZWHEYWBKXACNA-UHFFFAOYSA-N
MW186.23 g/mol
LogP3.70
Rot. Bonds1

About 1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene

1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene (PubChem CID 172616698) has the molecular formula C13H11F and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene.

Molecular Properties

Compound Name1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene
PubChem CID172616698
Molecular FormulaC13H11F
Molecular Weight186.23 g/mol
Exact Mass186.08
IUPAC Name1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene
SMILESCC(C)c1ccc(F)c2ccc#cc12
InChIInChI=1S/C13H11F/c1-9(2)10-7-8-13(14)12-6-4-3-5-11(10)12/h4,6-9H,1-2H3
InChIKeyZZWHEYWBKXACNA-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene?
The IUPAC name of 1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene (CID 172616698) is 1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene.
What is the SMILES notation for 1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene?
The canonical SMILES for 1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene is CC(C)c1ccc(F)c2ccc#cc12.
What is the InChIKey of 1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene?
The InChIKey is ZZWHEYWBKXACNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F/c1-9(2)10-7-8-13(14)12-6-4-3-5-11(10)12/h4,6-9H,1-2H3.
What are the key properties of 1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene?
1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene has a molecular weight of 186.23 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene is sourced from PubChem (CID 172616698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).