2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane

C9H10ClF7O — CID 58249151

IUPAC2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane
SMILESCCC1(F)CC(F)(C(C)(F)F)OC(F)(Cl)C1(F)F
InChIInChI=1S/C9H10ClF7O/c1-3-6(13)4-7(14,5(2,11)12)18-9(10,17)8(6,15)16/h3-4H2,1-2H3
InChIKeyLLRZTXBNYDWZQA-UHFFFAOYSA-N
MW302.62 g/mol
LogP4.34
Rot. Bonds2

About 2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane

2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane (PubChem CID 58249151) has the molecular formula C9H10ClF7O and a molecular weight of 302.62 g/mol. Its IUPAC name is 2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane.

Molecular Properties

Compound Name2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane
PubChem CID58249151
Molecular FormulaC9H10ClF7O
Molecular Weight302.62 g/mol
Exact Mass302.03
IUPAC Name2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane
SMILESCCC1(F)CC(F)(C(C)(F)F)OC(F)(Cl)C1(F)F
InChIInChI=1S/C9H10ClF7O/c1-3-6(13)4-7(14,5(2,11)12)18-9(10,17)8(6,15)16/h3-4H2,1-2H3
InChIKeyLLRZTXBNYDWZQA-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.62
LogP ≤ 54.34
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-Ethyl-2,3,3,5,5,6,6-heptafluoro-4-methyloxane
CID 57693925
6-(1,1-Difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluoro-2-(trifluoromethyl)oxane
CID 58249148
2-(1,1-Difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane
CID 58249149
6-Ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane
CID 58249152
2,2-Dichloro-6-(1,1-difluoroethyl)-4-ethyl-3,3,4,6-tetrafluorooxane
CID 58249154
6-(1,1-Difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane
CID 58488790
2-(1,1-Difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;tetrafluoromethane
CID 123188888
2-(1,1-Difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite
CID 123609647

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane?
The IUPAC name of 2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane (CID 58249151) is 2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane.
What is the SMILES notation for 2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane?
The canonical SMILES for 2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane is CCC1(F)CC(F)(C(C)(F)F)OC(F)(Cl)C1(F)F.
What is the InChIKey of 2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane?
The InChIKey is LLRZTXBNYDWZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF7O/c1-3-6(13)4-7(14,5(2,11)12)18-9(10,17)8(6,15)16/h3-4H2,1-2H3.
What are the key properties of 2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane?
2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane has a molecular weight of 302.62 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane is sourced from PubChem (CID 58249151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).