6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene

C21H23F — CID 67944945

IUPAC6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCC(=Cc1ccc(F)cc1)c1ccc2c(c1)C(C)(C)CCC2
InChIInChI=1S/C21H23F/c1-15(13-16-6-10-19(22)11-7-16)18-9-8-17-5-4-12-21(2,3)20(17)14-18/h6-11,13-14H,4-5,12H2,1-3H3
InChIKeyLBABMDLWPSDEDY-UHFFFAOYSA-N
MW294.41 g/mol
LogP6.00
Rot. Bonds2

About 6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene

6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene (PubChem CID 67944945) has the molecular formula C21H23F and a molecular weight of 294.41 g/mol. Its IUPAC name is 6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene
PubChem CID67944945
Molecular FormulaC21H23F
Molecular Weight294.41 g/mol
Exact Mass294.18
IUPAC Name6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCC(=Cc1ccc(F)cc1)c1ccc2c(c1)C(C)(C)CCC2
InChIInChI=1S/C21H23F/c1-15(13-16-6-10-19(22)11-7-16)18-9-8-17-5-4-12-21(2,3)20(17)14-18/h6-11,13-14H,4-5,12H2,1-3H3
InChIKeyLBABMDLWPSDEDY-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.41
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of 6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene (CID 67944945) is 6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene is CC(=Cc1ccc(F)cc1)c1ccc2c(c1)C(C)(C)CCC2.
What is the InChIKey of 6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The InChIKey is LBABMDLWPSDEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F/c1-15(13-16-6-10-19(22)11-7-16)18-9-8-17-5-4-12-21(2,3)20(17)14-18/h6-11,13-14H,4-5,12H2,1-3H3.
What are the key properties of 6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene has a molecular weight of 294.41 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluorophenyl)prop-1-en-2-yl]-4,4-dimethyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 67944945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).