2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane

C10H17F5O2 — CID 155052149

IUPAC2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane
SMILESCC(C)C(C)OC(F)(F)C(C)(C)OC(F)(F)F
InChIInChI=1S/C10H17F5O2/c1-6(2)7(3)16-9(11,12)8(4,5)17-10(13,14)15/h6-7H,1-5H3
InChIKeyNPRMMYDONFZZCA-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.96
Rot. Bonds5

About 2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane

2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane (PubChem CID 155052149) has the molecular formula C10H17F5O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane.

Molecular Properties

Compound Name2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane
PubChem CID155052149
Molecular FormulaC10H17F5O2
Molecular Weight264.23 g/mol
Exact Mass264.11
IUPAC Name2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane
SMILESCC(C)C(C)OC(F)(F)C(C)(C)OC(F)(F)F
InChIInChI=1S/C10H17F5O2/c1-6(2)7(3)16-9(11,12)8(4,5)17-10(13,14)15/h6-7H,1-5H3
InChIKeyNPRMMYDONFZZCA-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane?
The IUPAC name of 2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane (CID 155052149) is 2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane.
What is the SMILES notation for 2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane?
The canonical SMILES for 2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane is CC(C)C(C)OC(F)(F)C(C)(C)OC(F)(F)F.
What is the InChIKey of 2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane?
The InChIKey is NPRMMYDONFZZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F5O2/c1-6(2)7(3)16-9(11,12)8(4,5)17-10(13,14)15/h6-7H,1-5H3.
What are the key properties of 2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane?
2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane has a molecular weight of 264.23 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-difluoro-2-methyl-2-(trifluoromethoxy)propoxy]-3-methylbutane is sourced from PubChem (CID 155052149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).