(2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene

C16H21F — CID 123284186

IUPAC(2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene
SMILESC=C(C)C(=C)CC(F)(CC)Cc1ccccc1
InChIInChI=1S/C16H21F/c1-5-16(17,11-14(4)13(2)3)12-15-9-7-6-8-10-15/h6-10H,2,4-5,11-12H2,1,3H3
InChIKeyKMUGLSVWKSZMOC-UHFFFAOYSA-N
MW232.34 g/mol
LogP4.87
Rot. Bonds6

About (2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene

(2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene (PubChem CID 123284186) has the molecular formula C16H21F and a molecular weight of 232.34 g/mol. Its IUPAC name is (2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene.

Molecular Properties

Compound Name(2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene
PubChem CID123284186
Molecular FormulaC16H21F
Molecular Weight232.34 g/mol
Exact Mass232.16
IUPAC Name(2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene
SMILESC=C(C)C(=C)CC(F)(CC)Cc1ccccc1
InChIInChI=1S/C16H21F/c1-5-16(17,11-14(4)13(2)3)12-15-9-7-6-8-10-15/h6-10H,2,4-5,11-12H2,1,3H3
InChIKeyKMUGLSVWKSZMOC-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 54.87
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-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene?
The IUPAC name of (2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene (CID 123284186) is (2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene.
What is the SMILES notation for (2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene?
The canonical SMILES for (2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene is C=C(C)C(=C)CC(F)(CC)Cc1ccccc1.
What is the InChIKey of (2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene?
The InChIKey is KMUGLSVWKSZMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F/c1-5-16(17,11-14(4)13(2)3)12-15-9-7-6-8-10-15/h6-10H,2,4-5,11-12H2,1,3H3.
What are the key properties of (2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene?
(2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene has a molecular weight of 232.34 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene is sourced from PubChem (CID 123284186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).