2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane

C9H10Cl2F6O — CID 58249154

IUPAC2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane
SMILESCCC1(F)CC(F)(C(C)(F)F)OC(Cl)(Cl)C1(F)F
InChIInChI=1S/C9H10Cl2F6O/c1-3-6(14)4-7(15,5(2,12)13)18-9(10,11)8(6,16)17/h3-4H2,1-2H3
InChIKeyYAOPFFKFPMWHSL-UHFFFAOYSA-N
MW319.07 g/mol
LogP4.61
Rot. Bonds2

About 2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane

2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane (PubChem CID 58249154) has the molecular formula C9H10Cl2F6O and a molecular weight of 319.07 g/mol. Its IUPAC name is 2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane.

Molecular Properties

Compound Name2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane
PubChem CID58249154
Molecular FormulaC9H10Cl2F6O
Molecular Weight319.07 g/mol
Exact Mass318.00
IUPAC Name2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane
SMILESCCC1(F)CC(F)(C(C)(F)F)OC(Cl)(Cl)C1(F)F
InChIInChI=1S/C9H10Cl2F6O/c1-3-6(14)4-7(15,5(2,12)13)18-9(10,11)8(6,16)17/h3-4H2,1-2H3
InChIKeyYAOPFFKFPMWHSL-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.07
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane
CID 58249151
2-Chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane;2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane
CID 123262316

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane?
The IUPAC name of 2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane (CID 58249154) is 2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane.
What is the SMILES notation for 2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane?
The canonical SMILES for 2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane is CCC1(F)CC(F)(C(C)(F)F)OC(Cl)(Cl)C1(F)F.
What is the InChIKey of 2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane?
The InChIKey is YAOPFFKFPMWHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2F6O/c1-3-6(14)4-7(15,5(2,12)13)18-9(10,11)8(6,16)17/h3-4H2,1-2H3.
What are the key properties of 2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane?
2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane has a molecular weight of 319.07 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane is sourced from PubChem (CID 58249154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).