3-butoxy-1,1,1-trifluoro-2-methylpropane

C8H15F3O — CID 22002881

IUPAC3-butoxy-1,1,1-trifluoro-2-methylpropane
SMILESCCCCOCC(C)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-3-4-5-12-6-7(2)8(9,10)11/h7H,3-6H2,1-2H3
InChIKeyXFIFRPFPEKPZIA-UHFFFAOYSA-N
MW184.20 g/mol
LogP3.00
Rot. Bonds5

About 3-butoxy-1,1,1-trifluoro-2-methylpropane

3-butoxy-1,1,1-trifluoro-2-methylpropane (PubChem CID 22002881) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-butoxy-1,1,1-trifluoro-2-methylpropane.

Molecular Properties

Compound Name3-butoxy-1,1,1-trifluoro-2-methylpropane
PubChem CID22002881
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name3-butoxy-1,1,1-trifluoro-2-methylpropane
SMILESCCCCOCC(C)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-3-4-5-12-6-7(2)8(9,10)11/h7H,3-6H2,1-2H3
InChIKeyXFIFRPFPEKPZIA-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-butoxy-1,1,1-trifluoro-2-methylpropane with MolForge

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

Launch Full Analysis

Related Compounds

1-Ethoxy-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane--1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane (1/1)
CID 118797041
1-(2,2,3,3-Tetrafluoropropyloxy)-2-methylpropane
CID 90992962
1-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
Butyl 2,2-difluoropropyl ether
CID 15062441
1-Butoxy-2,2-difluorobutane
CID 15062445
4-Ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
gamma'-Difluorodibutyl ether
CID 129878663
4-Butoxy-1,1,1,2,4,4-hexafluorobutane
CID 91735803
2-Methyl-1-(2,2,2-trifluoroethoxy)propane
CID 12095509
Butyl(2,2,2-trifluoroethyl) ether
CID 14024098
1,1,2,2,3,3,4,4-Octafluoro-5-(2-methylpropoxy)pentane
CID 14595650
2-(Difluoromethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 17950340

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1,1,1-trifluoro-2-methylpropane?
The IUPAC name of 3-butoxy-1,1,1-trifluoro-2-methylpropane (CID 22002881) is 3-butoxy-1,1,1-trifluoro-2-methylpropane.
What is the SMILES notation for 3-butoxy-1,1,1-trifluoro-2-methylpropane?
The canonical SMILES for 3-butoxy-1,1,1-trifluoro-2-methylpropane is CCCCOCC(C)C(F)(F)F.
What is the InChIKey of 3-butoxy-1,1,1-trifluoro-2-methylpropane?
The InChIKey is XFIFRPFPEKPZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-3-4-5-12-6-7(2)8(9,10)11/h7H,3-6H2,1-2H3.
What are the key properties of 3-butoxy-1,1,1-trifluoro-2-methylpropane?
3-butoxy-1,1,1-trifluoro-2-methylpropane has a molecular weight of 184.20 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 22002881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).