1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane

C8H15F3O — CID 58807957

IUPAC1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane
SMILESCC(C)OC(C(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-5(2)7(8(9,10)11)12-6(3)4/h5-7H,1-4H3
InChIKeyIQNNXBWDAKUXAM-UHFFFAOYSA-N
MW184.20 g/mol
LogP3.00
Rot. Bonds3

About 1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane

1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane (PubChem CID 58807957) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane
PubChem CID58807957
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane
SMILESCC(C)OC(C(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-5(2)7(8(9,10)11)12-6(3)4/h5-7H,1-4H3
InChIKeyIQNNXBWDAKUXAM-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane?
The IUPAC name of 1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane (CID 58807957) is 1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane.
What is the SMILES notation for 1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane?
The canonical SMILES for 1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane is CC(C)OC(C(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane?
The InChIKey is IQNNXBWDAKUXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-5(2)7(8(9,10)11)12-6(3)4/h5-7H,1-4H3.
What are the key properties of 1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane?
1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane has a molecular weight of 184.20 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methyl-2-propan-2-yloxybutane is sourced from PubChem (CID 58807957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).