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

C10H19F3O — CID 158618517

IUPAC1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane
SMILESCC(C)OC(C)(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H19F3O/c1-7(2)14-9(6,8(3,4)5)10(11,12)13/h7H,1-6H3
InChIKeyHXRTXLCVFNBCQZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.78
Rot. Bonds2

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

1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane (PubChem CID 158618517) has the molecular formula C10H19F3O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane
PubChem CID158618517
Molecular FormulaC10H19F3O
Molecular Weight212.25 g/mol
Exact Mass212.14
IUPAC Name1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane
SMILESCC(C)OC(C)(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H19F3O/c1-7(2)14-9(6,8(3,4)5)10(11,12)13/h7H,1-6H3
InChIKeyHXRTXLCVFNBCQZ-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane?
The IUPAC name of 1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane (CID 158618517) is 1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane.
What is the SMILES notation for 1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane?
The canonical SMILES for 1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane is CC(C)OC(C)(C(C)(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane?
The InChIKey is HXRTXLCVFNBCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O/c1-7(2)14-9(6,8(3,4)5)10(11,12)13/h7H,1-6H3.
What are the key properties of 1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane?
1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane has a molecular weight of 212.25 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,3,3-trimethyl-2-propan-2-yloxybutane is sourced from PubChem (CID 158618517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).