1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane

C5HCl2F9O — CID 175756369

IUPAC1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)OC(Cl)Cl
InChIInChI=1S/C5HCl2F9O/c6-1(7)17-5(15,16)2(8,3(9,10)11)4(12,13)14/h1H
InChIKeyDHYJWUAECKISKS-UHFFFAOYSA-N
MW318.95 g/mol
LogP4.19
Rot. Bonds3

About 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane

1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane (PubChem CID 175756369) has the molecular formula C5HCl2F9O and a molecular weight of 318.95 g/mol. Its IUPAC name is 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
PubChem CID175756369
Molecular FormulaC5HCl2F9O
Molecular Weight318.95 g/mol
Exact Mass317.93
IUPAC Name1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)OC(Cl)Cl
InChIInChI=1S/C5HCl2F9O/c6-1(7)17-5(15,16)2(8,3(9,10)11)4(12,13)14/h1H
InChIKeyDHYJWUAECKISKS-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.95
LogP ≤ 54.19
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

1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane
CID 20606324
2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 4156734
1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane
CID 131727729
1-[3-(dichloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine
CID 20579833
1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 175695876
1-[1,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1,2,2,2-pentafluoroethane
CID 175740142
1-butan-2-ylperoxy-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 151831484
(1S)-1-chloro-1-(trifluoromethoxy)ethane
CID 155273016
2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane
CID 14930244
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 22450708
2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 87459958
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The IUPAC name of 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane (CID 175756369) is 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane.
What is the SMILES notation for 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The canonical SMILES for 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane is FC(F)(F)C(F)(C(F)(F)F)C(F)(F)OC(Cl)Cl.
What is the InChIKey of 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The InChIKey is DHYJWUAECKISKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2F9O/c6-1(7)17-5(15,16)2(8,3(9,10)11)4(12,13)14/h1H.
What are the key properties of 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane has a molecular weight of 318.95 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane is sourced from PubChem (CID 175756369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).