3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane

C10H18F4O — CID 121480982

IUPAC3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane
SMILESCCC(C)(OC(C)(F)F)C(C)(C)C(F)F
InChIInChI=1S/C10H18F4O/c1-6-9(4,15-10(5,13)14)8(2,3)7(11)12/h7H,6H2,1-5H3
InChIKeyCBBCOSLJJFRYLE-UHFFFAOYSA-N
MW230.24 g/mol
LogP4.08
Rot. Bonds5

About 3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane

3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane (PubChem CID 121480982) has the molecular formula C10H18F4O and a molecular weight of 230.24 g/mol. Its IUPAC name is 3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane.

Molecular Properties

Compound Name3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane
PubChem CID121480982
Molecular FormulaC10H18F4O
Molecular Weight230.24 g/mol
Exact Mass230.13
IUPAC Name3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane
SMILESCCC(C)(OC(C)(F)F)C(C)(C)C(F)F
InChIInChI=1S/C10H18F4O/c1-6-9(4,15-10(5,13)14)8(2,3)7(11)12/h7H,6H2,1-5H3
InChIKeyCBBCOSLJJFRYLE-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane?
The IUPAC name of 3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane (CID 121480982) is 3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane.
What is the SMILES notation for 3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane?
The canonical SMILES for 3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane is CCC(C)(OC(C)(F)F)C(C)(C)C(F)F.
What is the InChIKey of 3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane?
The InChIKey is CBBCOSLJJFRYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4O/c1-6-9(4,15-10(5,13)14)8(2,3)7(11)12/h7H,6H2,1-5H3.
What are the key properties of 3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane?
3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane has a molecular weight of 230.24 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane is sourced from PubChem (CID 121480982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).