2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene

C16H21F — CID 138528525

IUPAC2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene
SMILESCC/C=C\C(Cc1ccc(C)c(F)c1)=C(C)C
InChIInChI=1S/C16H21F/c1-5-6-7-15(12(2)3)10-14-9-8-13(4)16(17)11-14/h6-9,11H,5,10H2,1-4H3/b7-6-
InChIKeyXZWQBAGCUOZHKO-SREVYHEPSA-N
MW232.34 g/mol
LogP4.98
Rot. Bonds4

About 2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene

2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene (PubChem CID 138528525) has the molecular formula C16H21F and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene
PubChem CID138528525
Molecular FormulaC16H21F
Molecular Weight232.34 g/mol
Exact Mass232.16
IUPAC Name2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene
SMILESCC/C=C\C(Cc1ccc(C)c(F)c1)=C(C)C
InChIInChI=1S/C16H21F/c1-5-6-7-15(12(2)3)10-14-9-8-13(4)16(17)11-14/h6-9,11H,5,10H2,1-4H3/b7-6-
InChIKeyXZWQBAGCUOZHKO-SREVYHEPSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene?
The IUPAC name of 2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene (CID 138528525) is 2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene is CC/C=C\C(Cc1ccc(C)c(F)c1)=C(C)C.
What is the InChIKey of 2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene?
The InChIKey is XZWQBAGCUOZHKO-SREVYHEPSA-N. The full InChI is InChI=1S/C16H21F/c1-5-6-7-15(12(2)3)10-14-9-8-13(4)16(17)11-14/h6-9,11H,5,10H2,1-4H3/b7-6-.
What are the key properties of 2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene?
2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene has a molecular weight of 232.34 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene is sourced from PubChem (CID 138528525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).