1,1,1-trifluoro-2-propan-2-yloxypropane

C6H11F3O — CID 20612573

IUPAC1,1,1-trifluoro-2-propan-2-yloxypropane
SMILESCC(C)OC(C)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(2)10-5(3)6(7,8)9/h4-5H,1-3H3
InChIKeyRUJZMLCAKIVUTO-UHFFFAOYSA-N
MW156.15 g/mol
LogP2.36
Rot. Bonds2

About 1,1,1-trifluoro-2-propan-2-yloxypropane

1,1,1-trifluoro-2-propan-2-yloxypropane (PubChem CID 20612573) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-propan-2-yloxypropane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-propan-2-yloxypropane
PubChem CID20612573
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name1,1,1-trifluoro-2-propan-2-yloxypropane
SMILESCC(C)OC(C)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(2)10-5(3)6(7,8)9/h4-5H,1-3H3
InChIKeyRUJZMLCAKIVUTO-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoro-2-propan-2-yloxypropane 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-propan-2-yloxypropane?
The IUPAC name of 1,1,1-trifluoro-2-propan-2-yloxypropane (CID 20612573) is 1,1,1-trifluoro-2-propan-2-yloxypropane.
What is the SMILES notation for 1,1,1-trifluoro-2-propan-2-yloxypropane?
The canonical SMILES for 1,1,1-trifluoro-2-propan-2-yloxypropane is CC(C)OC(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-propan-2-yloxypropane?
The InChIKey is RUJZMLCAKIVUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-4(2)10-5(3)6(7,8)9/h4-5H,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-propan-2-yloxypropane?
1,1,1-trifluoro-2-propan-2-yloxypropane has a molecular weight of 156.15 g/mol, XLogP of 2.36, 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-propan-2-yloxypropane is sourced from PubChem (CID 20612573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).