(Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene

C6H5Cl2F5 — CID 11010150

IUPAC(Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene
SMILESCC(Cl)/C=C(\F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C6H5Cl2F5/c1-3(7)2-4(9)5(10,11)6(8,12)13/h2-3H,1H3/b4-2-
InChIKeyQWKPUGQUWKBGJP-RQOWECAXSA-N
MW243.00 g/mol
LogP3.93
Rot. Bonds3

About (Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene

(Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene (PubChem CID 11010150) has the molecular formula C6H5Cl2F5 and a molecular weight of 243.00 g/mol. Its IUPAC name is (Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene.

Molecular Properties

Compound Name(Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene
PubChem CID11010150
Molecular FormulaC6H5Cl2F5
Molecular Weight243.00 g/mol
Exact Mass241.97
IUPAC Name(Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene
SMILESCC(Cl)/C=C(\F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C6H5Cl2F5/c1-3(7)2-4(9)5(10,11)6(8,12)13/h2-3H,1H3/b4-2-
InChIKeyQWKPUGQUWKBGJP-RQOWECAXSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.00
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methylpent-2-ene
CID 12535659
1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene
CID 71429326
3,4,4-trichloro-3-fluoro-2-methylbutan-2-ol
CID 119096858
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
(E)-5-chloro-3-methylhex-3-en-2-one
CID 13403112
1-[1,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-2-enyl(methyl)amino]ethanol
CID 173422813
(E)-1-chloro-1-fluoro-3-methylbut-1-ene
CID 23384730
(Z)-3,4,4,5,5,5-hexafluoropent-2-ene
CID 57455081
(Z)-3,3-dichloro-1,2,3-trifluoroprop-1-ene
CID 90459485
chloromethane;1,1,3,3-tetrafluoroprop-1-ene
CID 174584065
3,3-dichloro-1,2,3-trifluoroprop-1-ene
CID 154475695
2-chloro-2-fluoro-3-methylbutane
CID 88897527

Frequently Asked Questions

What is the IUPAC name of (Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene?
The IUPAC name of (Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene (CID 11010150) is (Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene.
What is the SMILES notation for (Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene?
The canonical SMILES for (Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene is CC(Cl)/C=C(\F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of (Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene?
The InChIKey is QWKPUGQUWKBGJP-RQOWECAXSA-N. The full InChI is InChI=1S/C6H5Cl2F5/c1-3(7)2-4(9)5(10,11)6(8,12)13/h2-3H,1H3/b4-2-.
What are the key properties of (Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene?
(Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene has a molecular weight of 243.00 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,5-dichloro-1,1,2,2,3-pentafluorohex-3-ene is sourced from PubChem (CID 11010150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).