1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene

C13H17F3O — CID 129279587

IUPAC1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene
SMILESCOC(C)(C)c1ccccc1CCC(F)(F)F
InChIInChI=1S/C13H17F3O/c1-12(2,17-3)11-7-5-4-6-10(11)8-9-13(14,15)16/h4-7H,8-9H2,1-3H3
InChIKeyFGLXZPCNPVVKQZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.06
Rot. Bonds4

About 1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene

1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene (PubChem CID 129279587) has the molecular formula C13H17F3O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene.

Molecular Properties

Compound Name1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene
PubChem CID129279587
Molecular FormulaC13H17F3O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene
SMILESCOC(C)(C)c1ccccc1CCC(F)(F)F
InChIInChI=1S/C13H17F3O/c1-12(2,17-3)11-7-5-4-6-10(11)8-9-13(14,15)16/h4-7H,8-9H2,1-3H3
InChIKeyFGLXZPCNPVVKQZ-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

1-methoxy-2-(3,3,3-trifluoropropyl)benzene
CID 162553251
2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
CID 117111517
N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine
CID 117110998
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114917
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol
CID 117114443
1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene
CID 142491564
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
2-[2-(2-methoxypropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117113629
1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene
CID 156764039
methyl 4-(2-hydroxyphenyl)-2,2-dimethylbutanoate
CID 146319114

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene?
The IUPAC name of 1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene (CID 129279587) is 1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene.
What is the SMILES notation for 1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene?
The canonical SMILES for 1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene is COC(C)(C)c1ccccc1CCC(F)(F)F.
What is the InChIKey of 1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene?
The InChIKey is FGLXZPCNPVVKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O/c1-12(2,17-3)11-7-5-4-6-10(11)8-9-13(14,15)16/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene?
1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)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-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene is sourced from PubChem (CID 129279587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).