1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide

C3H2Br2F6 — CID 88822630

IUPAC1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
SMILESBr.Br.FC(F)=C(F)C(F)(F)F
InChIInChI=1S/C3F6.2BrH/c4-1(2(5)6)3(7,8)9;;/h;2*1H
InChIKeyBJPIEVRLMWHKEY-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.78
Rot. Bonds

About 1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide

1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide (PubChem CID 88822630) has the molecular formula C3H2Br2F6 and a molecular weight of 311.85 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
PubChem CID88822630
Molecular FormulaC3H2Br2F6
Molecular Weight311.85 g/mol
Exact Mass309.84
IUPAC Name1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
SMILESBr.Br.FC(F)=C(F)C(F)(F)F
InChIInChI=1S/C3F6.2BrH/c4-1(2(5)6)3(7,8)9;;/h;2*1H
InChIKeyBJPIEVRLMWHKEY-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide?
The IUPAC name of 1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide (CID 88822630) is 1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide.
What is the SMILES notation for 1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide?
The canonical SMILES for 1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide is Br.Br.FC(F)=C(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide?
The InChIKey is BJPIEVRLMWHKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6.2BrH/c4-1(2(5)6)3(7,8)9;;/h;2*1H.
What are the key properties of 1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide?
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide has a molecular weight of 311.85 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide is sourced from PubChem (CID 88822630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).