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

C12H23F3O — CID 153375534

IUPAC3,3,4-trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane
SMILESCC(C)C(C)(C)CCOC(C)(C)C(F)(F)F
InChIInChI=1S/C12H23F3O/c1-9(2)10(3,4)7-8-16-11(5,6)12(13,14)15/h9H,7-8H2,1-6H3
InChIKeyWOCQNVJMQDZLND-UHFFFAOYSA-N
MW240.31 g/mol
LogP4.42
Rot. Bonds5

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

3,3,4-trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane (PubChem CID 153375534) has the molecular formula C12H23F3O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3,3,4-trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane.

Molecular Properties

Compound Name3,3,4-trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane
PubChem CID153375534
Molecular FormulaC12H23F3O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name3,3,4-trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane
SMILESCC(C)C(C)(C)CCOC(C)(C)C(F)(F)F
InChIInChI=1S/C12H23F3O/c1-9(2)10(3,4)7-8-16-11(5,6)12(13,14)15/h9H,7-8H2,1-6H3
InChIKeyWOCQNVJMQDZLND-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane?
The IUPAC name of 3,3,4-trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane (CID 153375534) is 3,3,4-trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane.
What is the SMILES notation for 3,3,4-trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane?
The canonical SMILES for 3,3,4-trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane is CC(C)C(C)(C)CCOC(C)(C)C(F)(F)F.
What is the InChIKey of 3,3,4-trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane?
The InChIKey is WOCQNVJMQDZLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O/c1-9(2)10(3,4)7-8-16-11(5,6)12(13,14)15/h9H,7-8H2,1-6H3.
What are the key properties of 3,3,4-trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane?
3,3,4-trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane has a molecular weight of 240.31 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane is sourced from PubChem (CID 153375534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).