1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene

C14H19F3O — CID 20771639

IUPAC1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene
SMILESCCC(C)c1ccc(C(C)(OC)C(F)(F)F)cc1
InChIInChI=1S/C14H19F3O/c1-5-10(2)11-6-8-12(9-7-11)13(3,18-4)14(15,16)17/h6-10H,5H2,1-4H3
InChIKeyDYNJPOWTHASSNZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.62
Rot. Bonds4

About 1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene

1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene (PubChem CID 20771639) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene
PubChem CID20771639
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene
SMILESCCC(C)c1ccc(C(C)(OC)C(F)(F)F)cc1
InChIInChI=1S/C14H19F3O/c1-5-10(2)11-6-8-12(9-7-11)13(3,18-4)14(15,16)17/h6-10H,5H2,1-4H3
InChIKeyDYNJPOWTHASSNZ-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene
CID 20771640
[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate
CID 23533183
1-butan-2-yl-4-(4,4,5,5,5-pentafluoro-2-methoxypentan-2-yl)benzene
CID 156765898
1-butan-2-yl-4-[1,1,1-trifluoro-2-[1-[(2-methylpropan-2-yl)oxy]ethenoxy]propan-2-yl]benzene
CID 58364107
1-butan-2-yl-4-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene
CID 156765136
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
2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 82077217
CID 123774225
CID 123774225
2-(4-butan-2-ylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-2-ol
CID 162348435
3-(4-butan-2-ylphenyl)-3,3-difluoropropanoic acid
CID 116838338

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene?
The IUPAC name of 1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene (CID 20771639) is 1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene?
The canonical SMILES for 1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene is CCC(C)c1ccc(C(C)(OC)C(F)(F)F)cc1.
What is the InChIKey of 1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene?
The InChIKey is DYNJPOWTHASSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-5-10(2)11-6-8-12(9-7-11)13(3,18-4)14(15,16)17/h6-10H,5H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene?
1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene has a molecular weight of 260.30 g/mol, XLogP of 4.62, 4 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-methoxypropan-2-yl)benzene is sourced from PubChem (CID 20771639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).