1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene

C15H18F6O — CID 20771640

IUPAC1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene
SMILESCCC(C)c1ccc(C(C)(OCC(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H18F6O/c1-4-10(2)11-5-7-12(8-6-11)13(3,15(19,20)21)22-9-14(16,17)18/h5-8,10H,4,9H2,1-3H3
InChIKeyDBPZKFQPOZIXBQ-UHFFFAOYSA-N
MW328.30 g/mol
LogP5.56
Rot. Bonds5

About 1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene

1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene (PubChem CID 20771640) has the molecular formula C15H18F6O and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene
PubChem CID20771640
Molecular FormulaC15H18F6O
Molecular Weight328.30 g/mol
Exact Mass328.13
IUPAC Name1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene
SMILESCCC(C)c1ccc(C(C)(OCC(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H18F6O/c1-4-10(2)11-5-7-12(8-6-11)13(3,15(19,20)21)22-9-14(16,17)18/h5-8,10H,4,9H2,1-3H3
InChIKeyDBPZKFQPOZIXBQ-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.30
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene 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-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene
CID 20771639
[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate
CID 23533183
1-butan-2-yl-4-[1,1,1-trifluoro-2-[1-[(2-methylpropan-2-yl)oxy]ethenoxy]propan-2-yl]benzene
CID 58364107
1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207062
1-butan-2-yl-4-(4,4,5,5,5-pentafluoro-2-methoxypentan-2-yl)benzene
CID 156765898
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
2-(4-butan-2-ylphenyl)-2,2-difluoroacetonitrile
CID 116840569
2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol
CID 20756244
1-butan-2-yl-4-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene
CID 156765136
2,2,2-trifluoroethyl 4-(4-butan-2-ylanilino)butanoate
CID 121308537
CID 123774225
CID 123774225
2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 82077217

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene?
The IUPAC name of 1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene (CID 20771640) is 1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene.
What is the SMILES notation for 1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene?
The canonical SMILES for 1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene is CCC(C)c1ccc(C(C)(OCC(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene?
The InChIKey is DBPZKFQPOZIXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F6O/c1-4-10(2)11-5-7-12(8-6-11)13(3,15(19,20)21)22-9-14(16,17)18/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene?
1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene has a molecular weight of 328.30 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene is sourced from PubChem (CID 20771640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).