1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene

C13H17F3O — CID 142491564

IUPAC1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene
SMILESCCOC(C)(C)c1ccccc1CC(F)(F)F
InChIInChI=1S/C13H17F3O/c1-4-17-12(2,3)11-8-6-5-7-10(11)9-13(14,15)16/h5-8H,4,9H2,1-3H3
InChIKeyQFBNELGCFHHSMW-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.06
Rot. Bonds4

About 1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene

1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene (PubChem CID 142491564) has the molecular formula C13H17F3O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene
PubChem CID142491564
Molecular FormulaC13H17F3O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene
SMILESCCOC(C)(C)c1ccccc1CC(F)(F)F
InChIInChI=1S/C13H17F3O/c1-4-17-12(2,3)11-8-6-5-7-10(11)9-13(14,15)16/h5-8H,4,9H2,1-3H3
InChIKeyQFBNELGCFHHSMW-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
CID 177328256
1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene
CID 129279587
N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 82608402
2-methyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 86277095
1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene
CID 173340690
N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115279415
1-[1-ethoxy-1-(2-methylphenyl)ethyl]-2-methylbenzene
CID 67864270
1,4-bis(2-ethoxypropan-2-yl)benzene
CID 54144220
2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine
CID 84748030
N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84726410
1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene
CID 122489122
3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117349418

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene (CID 142491564) is 1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene is CCOC(C)(C)c1ccccc1CC(F)(F)F.
What is the InChIKey of 1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene?
The InChIKey is QFBNELGCFHHSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O/c1-4-17-12(2,3)11-8-6-5-7-10(11)9-13(14,15)16/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene?
1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene has a molecular weight of 246.27 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 142491564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).