4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene

C7H11F2I — CID 71411670

IUPAC4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene
SMILESC=C(C)C(C)(C)C(F)(F)I
InChIInChI=1S/C7H11F2I/c1-5(2)6(3,4)7(8,9)10/h1H2,2-4H3
InChIKeyKMZOBEYJJQFADV-UHFFFAOYSA-N
MW260.06 g/mol
LogP3.62
Rot. Bonds2

About 4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene

4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene (PubChem CID 71411670) has the molecular formula C7H11F2I and a molecular weight of 260.06 g/mol. Its IUPAC name is 4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene.

Molecular Properties

Compound Name4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene
PubChem CID71411670
Molecular FormulaC7H11F2I
Molecular Weight260.06 g/mol
Exact Mass259.99
IUPAC Name4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene
SMILESC=C(C)C(C)(C)C(F)(F)I
InChIInChI=1S/C7H11F2I/c1-5(2)6(3,4)7(8,9)10/h1H2,2-4H3
InChIKeyKMZOBEYJJQFADV-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(Difluoromethyl)-3,3-dimethylbut-1-ene
CID 134287789
4,4,4-Trifluoro-2,3,3-trimethylbut-1-ene
CID 137539214
5,5,5-Trifluoro-2-iodo-4-methyl-4-(trifluoromethyl)pent-1-ene
CID 146207493
3,3-Dimethyl-2-(trifluoromethyl)but-1-ene
CID 155223144
2-(Iodomethyl)-3,3-dimethylbut-1-ene
CID 71659148
(1,1-Difluoro-3-methyl-2-methylidenebutyl)-methylidene-lambda3-iodane
CID 162623100

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene?
The IUPAC name of 4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene (CID 71411670) is 4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene.
What is the SMILES notation for 4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene?
The canonical SMILES for 4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene is C=C(C)C(C)(C)C(F)(F)I.
What is the InChIKey of 4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene?
The InChIKey is KMZOBEYJJQFADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2I/c1-5(2)6(3,4)7(8,9)10/h1H2,2-4H3.
What are the key properties of 4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene?
4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene has a molecular weight of 260.06 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-4-iodo-2,3,3-trimethylbut-1-ene is sourced from PubChem (CID 71411670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).