2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane

C13H25F3O — CID 138702489

IUPAC2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane
SMILESCCC(C)(C)C(C)COC(C)(C)CC(F)(F)F
InChIInChI=1S/C13H25F3O/c1-7-11(3,4)10(2)8-17-12(5,6)9-13(14,15)16/h10H,7-9H2,1-6H3
InChIKeyZIRWQSCDLZGREG-UHFFFAOYSA-N
MW254.34 g/mol
LogP4.81
Rot. Bonds6

About 2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane

2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane (PubChem CID 138702489) has the molecular formula C13H25F3O and a molecular weight of 254.34 g/mol. Its IUPAC name is 2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane.

Molecular Properties

Compound Name2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane
PubChem CID138702489
Molecular FormulaC13H25F3O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane
SMILESCCC(C)(C)C(C)COC(C)(C)CC(F)(F)F
InChIInChI=1S/C13H25F3O/c1-7-11(3,4)10(2)8-17-12(5,6)9-13(14,15)16/h10H,7-9H2,1-6H3
InChIKeyZIRWQSCDLZGREG-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane?
The IUPAC name of 2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane (CID 138702489) is 2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane.
What is the SMILES notation for 2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane?
The canonical SMILES for 2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane is CCC(C)(C)C(C)COC(C)(C)CC(F)(F)F.
What is the InChIKey of 2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane?
The InChIKey is ZIRWQSCDLZGREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O/c1-7-11(3,4)10(2)8-17-12(5,6)9-13(14,15)16/h10H,7-9H2,1-6H3.
What are the key properties of 2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane?
2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane has a molecular weight of 254.34 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane is sourced from PubChem (CID 138702489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).