3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane

C10H18F4O2 — CID 89343999

IUPAC3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
SMILESCC(C)OC(F)(F)C(C)(C)C(C)OC(F)F
InChIInChI=1S/C10H18F4O2/c1-6(2)16-10(13,14)9(4,5)7(3)15-8(11)12/h6-8H,1-5H3
InChIKeyGEIOTGFZUXNRJF-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.66
Rot. Bonds6

About 3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane

3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane (PubChem CID 89343999) has the molecular formula C10H18F4O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane.

Molecular Properties

Compound Name3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
PubChem CID89343999
Molecular FormulaC10H18F4O2
Molecular Weight246.24 g/mol
Exact Mass246.12
IUPAC Name3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
SMILESCC(C)OC(F)(F)C(C)(C)C(C)OC(F)F
InChIInChI=1S/C10H18F4O2/c1-6(2)16-10(13,14)9(4,5)7(3)15-8(11)12/h6-8H,1-5H3
InChIKeyGEIOTGFZUXNRJF-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane?
The IUPAC name of 3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane (CID 89343999) is 3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane.
What is the SMILES notation for 3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane?
The canonical SMILES for 3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane is CC(C)OC(F)(F)C(C)(C)C(C)OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane?
The InChIKey is GEIOTGFZUXNRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4O2/c1-6(2)16-10(13,14)9(4,5)7(3)15-8(11)12/h6-8H,1-5H3.
What are the key properties of 3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane?
3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane has a molecular weight of 246.24 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane is sourced from PubChem (CID 89343999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).