2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene

C8HCl2F13 — CID 88615008

IUPAC2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene
SMILESFC(=CC(F)(F)F)C(F)(F)F.FC(F)(F)C(Cl)=C(Cl)C(F)(F)F
InChIInChI=1S/C4Cl2F6.C4HF7/c5-1(3(7,8)9)2(6)4(10,11)12;5-2(4(9,10)11)1-3(6,7)8/h;1H
InChIKeyMMIIPXYUBRKJDB-UHFFFAOYSA-N
MW414.98 g/mol
LogP6.76
Rot. Bonds

About 2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene

2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene (PubChem CID 88615008) has the molecular formula C8HCl2F13 and a molecular weight of 414.98 g/mol. Its IUPAC name is 2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene.

Molecular Properties

Compound Name2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene
PubChem CID88615008
Molecular FormulaC8HCl2F13
Molecular Weight414.98 g/mol
Exact Mass413.92
IUPAC Name2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene
SMILESFC(=CC(F)(F)F)C(F)(F)F.FC(F)(F)C(Cl)=C(Cl)C(F)(F)F
InChIInChI=1S/C4Cl2F6.C4HF7/c5-1(3(7,8)9)2(6)4(10,11)12;5-2(4(9,10)11)1-3(6,7)8/h;1H
InChIKeyMMIIPXYUBRKJDB-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.98
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene with MolForge

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Related Compounds

2-chloro-1,1,1,3-tetrafluorobut-2-ene
CID 53395469
1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene
CID 159561664
(Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene
CID 121234505
2-chloro-1,1,1,4,4,4-hexafluoro-3-methylbut-2-ene
CID 54404370
CID 14849495
CID 14849495
4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene
CID 174983751
1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene
CID 160547390
(2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
CID 15274880
2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene
CID 139906496
(E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene
CID 23236252
(Z)-1,2,3,3,3-pentafluoroprop-1-ene;3,3,3-trifluoroprop-1-ene
CID 158693197
3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene
CID 123444118

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene?
The IUPAC name of 2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene (CID 88615008) is 2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene.
What is the SMILES notation for 2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene?
The canonical SMILES for 2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene is FC(=CC(F)(F)F)C(F)(F)F.FC(F)(F)C(Cl)=C(Cl)C(F)(F)F.
What is the InChIKey of 2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene?
The InChIKey is MMIIPXYUBRKJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl2F6.C4HF7/c5-1(3(7,8)9)2(6)4(10,11)12;5-2(4(9,10)11)1-3(6,7)8/h;1H.
What are the key properties of 2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene?
2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene has a molecular weight of 414.98 g/mol, XLogP of 6.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene is sourced from PubChem (CID 88615008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).