1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene

C4HCl2F5 — CID 155169645

IUPAC1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene
SMILESFC(=C(Cl)Cl)C(F)(F)C(F)F
InChIInChI=1S/C4HCl2F5/c5-2(6)1(7)4(10,11)3(8)9/h3H
InChIKeyXLZZYEJJTXBUPG-UHFFFAOYSA-N
MW214.95 g/mol
LogP3.50
Rot. Bonds2

About 1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene

1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene (PubChem CID 155169645) has the molecular formula C4HCl2F5 and a molecular weight of 214.95 g/mol. Its IUPAC name is 1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene.

Molecular Properties

Compound Name1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene
PubChem CID155169645
Molecular FormulaC4HCl2F5
Molecular Weight214.95 g/mol
Exact Mass213.94
IUPAC Name1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene
SMILESFC(=C(Cl)Cl)C(F)(F)C(F)F
InChIInChI=1S/C4HCl2F5/c5-2(6)1(7)4(10,11)3(8)9/h3H
InChIKeyXLZZYEJJTXBUPG-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.95
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1,2,3,3,4,5,5-heptafluoropent-1-ene
CID 146624735
CID 14849495
CID 14849495
copper bis(2,2,3,3-tetrafluoropropanoate)
CID 160873340
2-chloro-3,4,4,5,5-pentafluoropent-1-ene
CID 87403789
4-(difluoromethyl)-1,1,1,2,3,4,5,5,5-nonafluoropent-2-ene
CID 141179739
2,2,3,3-tetrafluoro-N-(1-hydroxybutan-2-yl)propanamide
CID 103944341
2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 105342996
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 104580731
1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene
CID 54297906
chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane
CID 160658903
1,1,2,3,3,4,5,6,6-nonafluorohex-1-ene
CID 21182215

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene?
The IUPAC name of 1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene (CID 155169645) is 1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene.
What is the SMILES notation for 1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene?
The canonical SMILES for 1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene is FC(=C(Cl)Cl)C(F)(F)C(F)F.
What is the InChIKey of 1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene?
The InChIKey is XLZZYEJJTXBUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2F5/c5-2(6)1(7)4(10,11)3(8)9/h3H.
What are the key properties of 1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene?
1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene has a molecular weight of 214.95 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene is sourced from PubChem (CID 155169645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).