1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene

C6H2Cl4F6 — CID 160547390

IUPAC1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene
SMILESFC(F)(F)C(Cl)=CCl.FC(F)(F)C=C(Cl)Cl
InChIInChI=1S/2C3HCl2F3/c4-1-2(5)3(6,7)8;4-2(5)1-3(6,7)8/h2*1H
InChIKeyQXPNDAGPFGGGTN-UHFFFAOYSA-N
MW329.88 g/mol
LogP5.74
Rot. Bonds

About 1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene

1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene (PubChem CID 160547390) has the molecular formula C6H2Cl4F6 and a molecular weight of 329.88 g/mol. Its IUPAC name is 1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene
PubChem CID160547390
Molecular FormulaC6H2Cl4F6
Molecular Weight329.88 g/mol
Exact Mass327.88
IUPAC Name1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene
SMILESFC(F)(F)C(Cl)=CCl.FC(F)(F)C=C(Cl)Cl
InChIInChI=1S/2C3HCl2F3/c4-1-2(5)3(6,7)8;4-2(5)1-3(6,7)8/h2*1H
InChIKeyQXPNDAGPFGGGTN-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.88
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene (CID 160547390) is 1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene is FC(F)(F)C(Cl)=CCl.FC(F)(F)C=C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene?
The InChIKey is QXPNDAGPFGGGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3HCl2F3/c4-1-2(5)3(6,7)8;4-2(5)1-3(6,7)8/h2*1H.
What are the key properties of 1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene?
1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene has a molecular weight of 329.88 g/mol, XLogP of 5.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 160547390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).