(5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene

C15H19F — CID 170149907

IUPAC(5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene
SMILESC=C(C(=C(C)C)c1ccccc1)C(C)(C)F
InChIInChI=1S/C15H19F/c1-11(2)14(12(3)15(4,5)16)13-9-7-6-8-10-13/h6-10H,3H2,1-2,4-5H3
InChIKeyGZJHZIREIKMYPB-UHFFFAOYSA-N
MW218.31 g/mol
LogP4.78
Rot. Bonds3

About (5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene

(5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene (PubChem CID 170149907) has the molecular formula C15H19F and a molecular weight of 218.31 g/mol. Its IUPAC name is (5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene.

Molecular Properties

Compound Name(5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene
PubChem CID170149907
Molecular FormulaC15H19F
Molecular Weight218.31 g/mol
Exact Mass218.15
IUPAC Name(5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene
SMILESC=C(C(=C(C)C)c1ccccc1)C(C)(C)F
InChIInChI=1S/C15H19F/c1-11(2)14(12(3)15(4,5)16)13-9-7-6-8-10-13/h6-10H,3H2,1-2,4-5H3
InChIKeyGZJHZIREIKMYPB-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

prop-1-en-2-ylbenzene;silane
CID 174724970
(2,7-dimethyl-6-phenylocta-2,6-dien-4-yn-3-yl)benzene
CID 625338
(Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one
CID 10962887
1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene
CID 166438756
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
4,4-dimethyl-2-phenylpent-2-en-3-ol
CID 71336376
prop-1-en-2-ylbenzene;1,1,2,2-tetrafluoroethene
CID 161134762
4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide
CID 141454955
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084
[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene
CID 144607664
[(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene
CID 162576460
(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene
CID 102368693

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene?
The IUPAC name of (5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene (CID 170149907) is (5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene.
What is the SMILES notation for (5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene?
The canonical SMILES for (5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene is C=C(C(=C(C)C)c1ccccc1)C(C)(C)F.
What is the InChIKey of (5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene?
The InChIKey is GZJHZIREIKMYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F/c1-11(2)14(12(3)15(4,5)16)13-9-7-6-8-10-13/h6-10H,3H2,1-2,4-5H3.
What are the key properties of (5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene?
(5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene has a molecular weight of 218.31 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,5-dimethyl-4-methylidenehex-2-en-3-yl)benzene is sourced from PubChem (CID 170149907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).