sodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene

C7H11BrFNa — CID 171049037

IUPACsodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene
SMILESC[CH-][C@@H](C)CC=C(F)Br.[Na+]
InChIInChI=1S/C7H11BrF.Na/c1-3-6(2)4-5-7(8)9;/h3,5-6H,4H2,1-2H3;/q-1;+1/t6-;/m1./s1
InChIKeyJNYNVRGWKPKXJT-FYZOBXCZSA-N
MW217.06 g/mol
LogP0.45
Rot. Bonds3

About sodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene

sodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene (PubChem CID 171049037) has the molecular formula C7H11BrFNa and a molecular weight of 217.06 g/mol. Its IUPAC name is sodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene.

Molecular Properties

Compound Namesodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene
PubChem CID171049037
Molecular FormulaC7H11BrFNa
Molecular Weight217.06 g/mol
Exact Mass215.99
IUPAC Namesodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene
SMILESC[CH-][C@@H](C)CC=C(F)Br.[Na+]
InChIInChI=1S/C7H11BrF.Na/c1-3-6(2)4-5-7(8)9;/h3,5-6H,4H2,1-2H3;/q-1;+1/t6-;/m1./s1
InChIKeyJNYNVRGWKPKXJT-FYZOBXCZSA-N
XLogP0.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene?
The IUPAC name of sodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene (CID 171049037) is sodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene.
What is the SMILES notation for sodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene?
The canonical SMILES for sodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene is C[CH-][C@@H](C)CC=C(F)Br.[Na+].
What is the InChIKey of sodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene?
The InChIKey is JNYNVRGWKPKXJT-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H11BrF.Na/c1-3-6(2)4-5-7(8)9;/h3,5-6H,4H2,1-2H3;/q-1;+1/t6-;/m1./s1.
What are the key properties of sodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene?
sodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene has a molecular weight of 217.06 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene is sourced from PubChem (CID 171049037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).