2,3-difluoro-5-methyl-4-methylidenehex-2-ene

C8H12F2 — CID 123737950

IUPAC2,3-difluoro-5-methyl-4-methylidenehex-2-ene
SMILESC=C(C(F)=C(C)F)C(C)C
InChIInChI=1S/C8H12F2/c1-5(2)6(3)8(10)7(4)9/h5H,3H2,1-2,4H3
InChIKeyCLVBEZLWUFUBRL-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.37
Rot. Bonds2

About 2,3-difluoro-5-methyl-4-methylidenehex-2-ene

2,3-difluoro-5-methyl-4-methylidenehex-2-ene (PubChem CID 123737950) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 2,3-difluoro-5-methyl-4-methylidenehex-2-ene.

Molecular Properties

Compound Name2,3-difluoro-5-methyl-4-methylidenehex-2-ene
PubChem CID123737950
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name2,3-difluoro-5-methyl-4-methylidenehex-2-ene
SMILESC=C(C(F)=C(C)F)C(C)C
InChIInChI=1S/C8H12F2/c1-5(2)6(3)8(10)7(4)9/h5H,3H2,1-2,4H3
InChIKeyCLVBEZLWUFUBRL-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.37
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

(3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine
CID 142348700
(2Z,4Z)-2,3,4,5-tetrafluorohexa-2,4-diene
CID 24973613
2,5-dimethyl-4-methylidenehex-2-ene-3-thiol
CID 131975320
2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene
CID 138505671
2-fluoro-4-methylpent-1-en-3-one
CID 135183491
1,1,2-trifluoro-3-methylbuta-1,3-diene
CID 18520937
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
1,1,2,3,4-pentafluoropenta-1,3-diene
CID 72580836
(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane
CID 145319399
(E)-2,3-difluorobut-2-ene
CID 59928419
N,N,2,4-tetramethyl-3-methylidenepent-1-en-1-amine
CID 123516073
N,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
CID 130225205

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-methyl-4-methylidenehex-2-ene?
The IUPAC name of 2,3-difluoro-5-methyl-4-methylidenehex-2-ene (CID 123737950) is 2,3-difluoro-5-methyl-4-methylidenehex-2-ene.
What is the SMILES notation for 2,3-difluoro-5-methyl-4-methylidenehex-2-ene?
The canonical SMILES for 2,3-difluoro-5-methyl-4-methylidenehex-2-ene is C=C(C(F)=C(C)F)C(C)C.
What is the InChIKey of 2,3-difluoro-5-methyl-4-methylidenehex-2-ene?
The InChIKey is CLVBEZLWUFUBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-5(2)6(3)8(10)7(4)9/h5H,3H2,1-2,4H3.
What are the key properties of 2,3-difluoro-5-methyl-4-methylidenehex-2-ene?
2,3-difluoro-5-methyl-4-methylidenehex-2-ene has a molecular weight of 146.18 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-methyl-4-methylidenehex-2-ene is sourced from PubChem (CID 123737950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).