1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane

C7Cl2F12O — CID 87882096

IUPAC1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane
SMILESFC(F)=C(F)OC(F)(C(F)(F)F)C(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C7Cl2F12O/c8-3(13,6(9,17)18)4(14,15)5(16,7(19,20)21)22-2(12)1(10)11
InChIKeyXZQOCQOYURIKHR-UHFFFAOYSA-N
MW398.96 g/mol
LogP5.64
Rot. Bonds5

About 1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane

1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane (PubChem CID 87882096) has the molecular formula C7Cl2F12O and a molecular weight of 398.96 g/mol. Its IUPAC name is 1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane.

Molecular Properties

Compound Name1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane
PubChem CID87882096
Molecular FormulaC7Cl2F12O
Molecular Weight398.96 g/mol
Exact Mass397.91
IUPAC Name1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane
SMILESFC(F)=C(F)OC(F)(C(F)(F)F)C(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C7Cl2F12O/c8-3(13,6(9,17)18)4(14,15)5(16,7(19,20)21)22-2(12)1(10)11
InChIKeyXZQOCQOYURIKHR-UHFFFAOYSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.96
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane with MolForge

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Related Compounds

1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane
CID 11730669
2,2,3,3,4,4-hexafluoro-4-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxybutanoic acid
CID 14174315
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluoro-31-(1,2,2-trifluoroethenoxy)hentriacontane
CID 175893093
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane
CID 19837350
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyoctane-1-sulfonic acid
CID 163324587
4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene
CID 162539017
4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene
CID 15510226
2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid
CID 138394713
azane;1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonic acid
CID 87161896
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonamide
CID 102187425
1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid
CID 101028064
1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane
CID 175694142

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane?
The IUPAC name of 1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane (CID 87882096) is 1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane.
What is the SMILES notation for 1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane?
The canonical SMILES for 1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane is FC(F)=C(F)OC(F)(C(F)(F)F)C(F)(F)C(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane?
The InChIKey is XZQOCQOYURIKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl2F12O/c8-3(13,6(9,17)18)4(14,15)5(16,7(19,20)21)22-2(12)1(10)11.
What are the key properties of 1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane?
1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane has a molecular weight of 398.96 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane is sourced from PubChem (CID 87882096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).