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

C7H11BrF2 — CID 10013442

IUPAC4-bromo-4,4-difluoro-2,3,3-trimethylbut-1-ene
SMILESC=C(C)C(C)(C)C(F)(F)Br
InChIInChI=1S/C7H11BrF2/c1-5(2)6(3,4)7(8,9)10/h1H2,2-4H3
InChIKeyHUGMENXZDHHDQV-UHFFFAOYSA-N
MW213.06 g/mol
LogP3.58
Rot. Bonds2

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

4-bromo-4,4-difluoro-2,3,3-trimethylbut-1-ene (PubChem CID 10013442) has the molecular formula C7H11BrF2 and a molecular weight of 213.06 g/mol. Its IUPAC name is 4-bromo-4,4-difluoro-2,3,3-trimethylbut-1-ene.

Molecular Properties

Compound Name4-bromo-4,4-difluoro-2,3,3-trimethylbut-1-ene
PubChem CID10013442
Molecular FormulaC7H11BrF2
Molecular Weight213.06 g/mol
Exact Mass212.00
IUPAC Name4-bromo-4,4-difluoro-2,3,3-trimethylbut-1-ene
SMILESC=C(C)C(C)(C)C(F)(F)Br
InChIInChI=1S/C7H11BrF2/c1-5(2)6(3,4)7(8,9)10/h1H2,2-4H3
InChIKeyHUGMENXZDHHDQV-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-4,4-difluoro-2,3,3-trimethylbut-1-ene?
The IUPAC name of 4-bromo-4,4-difluoro-2,3,3-trimethylbut-1-ene (CID 10013442) is 4-bromo-4,4-difluoro-2,3,3-trimethylbut-1-ene.
What is the SMILES notation for 4-bromo-4,4-difluoro-2,3,3-trimethylbut-1-ene?
The canonical SMILES for 4-bromo-4,4-difluoro-2,3,3-trimethylbut-1-ene is C=C(C)C(C)(C)C(F)(F)Br.
What is the InChIKey of 4-bromo-4,4-difluoro-2,3,3-trimethylbut-1-ene?
The InChIKey is HUGMENXZDHHDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrF2/c1-5(2)6(3,4)7(8,9)10/h1H2,2-4H3.
What are the key properties of 4-bromo-4,4-difluoro-2,3,3-trimethylbut-1-ene?
4-bromo-4,4-difluoro-2,3,3-trimethylbut-1-ene has a molecular weight of 213.06 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-4,4-difluoro-2,3,3-trimethylbut-1-ene is sourced from PubChem (CID 10013442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).