(E)-2,2-difluoro-3,5,5-trimethylhept-3-ene

C10H18F2 — CID 130242959

IUPAC(E)-2,2-difluoro-3,5,5-trimethylhept-3-ene
SMILESCCC(C)(C)/C=C(\C)C(C)(F)F
InChIInChI=1S/C10H18F2/c1-6-9(3,4)7-8(2)10(5,11)12/h7H,6H2,1-5H3/b8-7+
InChIKeyKPMPIIPDVWPQSH-BQYQJAHWSA-N
MW176.25 g/mol
LogP4.02
Rot. Bonds3

About (E)-2,2-difluoro-3,5,5-trimethylhept-3-ene

(E)-2,2-difluoro-3,5,5-trimethylhept-3-ene (PubChem CID 130242959) has the molecular formula C10H18F2 and a molecular weight of 176.25 g/mol. Its IUPAC name is (E)-2,2-difluoro-3,5,5-trimethylhept-3-ene.

Molecular Properties

Compound Name(E)-2,2-difluoro-3,5,5-trimethylhept-3-ene
PubChem CID130242959
Molecular FormulaC10H18F2
Molecular Weight176.25 g/mol
Exact Mass176.14
IUPAC Name(E)-2,2-difluoro-3,5,5-trimethylhept-3-ene
SMILESCCC(C)(C)/C=C(\C)C(C)(F)F
InChIInChI=1S/C10H18F2/c1-6-9(3,4)7-8(2)10(5,11)12/h7H,6H2,1-5H3/b8-7+
InChIKeyKPMPIIPDVWPQSH-BQYQJAHWSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.25
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-1,1,1-trifluoro-2-methylpent-2-ene
CID 58901116
(E)-4-ethyl-2-fluoro-3,4-dimethylhex-2-ene
CID 167317174
ethane;2-fluoro-2-methylbutane
CID 143329956
2,2-dimethylbutane;2-methylbut-2-ene
CID 142603024
4-fluoro-4-methylhexan-2-one
CID 126626777
(E)-2-ethyl-3,3-difluorobut-1-en-1-amine
CID 167141623
3-methyl-3-(trifluoromethylsulfonyl)pentane
CID 88539345
(4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol
CID 58289219
(3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine
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methyl (E)-4,4-difluoro-3-methylpent-2-enoate
CID 126732531

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-difluoro-3,5,5-trimethylhept-3-ene?
The IUPAC name of (E)-2,2-difluoro-3,5,5-trimethylhept-3-ene (CID 130242959) is (E)-2,2-difluoro-3,5,5-trimethylhept-3-ene.
What is the SMILES notation for (E)-2,2-difluoro-3,5,5-trimethylhept-3-ene?
The canonical SMILES for (E)-2,2-difluoro-3,5,5-trimethylhept-3-ene is CCC(C)(C)/C=C(\C)C(C)(F)F.
What is the InChIKey of (E)-2,2-difluoro-3,5,5-trimethylhept-3-ene?
The InChIKey is KPMPIIPDVWPQSH-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H18F2/c1-6-9(3,4)7-8(2)10(5,11)12/h7H,6H2,1-5H3/b8-7+.
What are the key properties of (E)-2,2-difluoro-3,5,5-trimethylhept-3-ene?
(E)-2,2-difluoro-3,5,5-trimethylhept-3-ene has a molecular weight of 176.25 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoro-3,5,5-trimethylhept-3-ene is sourced from PubChem (CID 130242959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).