2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene

C13H17F3O — CID 59987619

IUPAC2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(OC(F)(F)F)c(C(C)C)c1
InChIInChI=1S/C13H17F3O/c1-8(2)10-5-6-12(17-13(14,15)16)11(7-10)9(3)4/h5-9H,1-4H3
InChIKeyHZHNSLNDCBQDSS-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.83
Rot. Bonds3

About 2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene

2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene (PubChem CID 59987619) has the molecular formula C13H17F3O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene
PubChem CID59987619
Molecular FormulaC13H17F3O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(OC(F)(F)F)c(C(C)C)c1
InChIInChI=1S/C13H17F3O/c1-8(2)10-5-6-12(17-13(14,15)16)11(7-10)9(3)4/h5-9H,1-4H3
InChIKeyHZHNSLNDCBQDSS-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene
CID 154974875
1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 134237189
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
CID 158966469
(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242411
3-propan-2-yl-4-(trifluoromethoxy)pyridine
CID 138513813
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylbutan-2-ol
CID 171263526
2-chloro-1-(2-fluoro-2-methylpropoxy)-4-propan-2-ylbenzene
CID 121387225
2-[2,4-di(propan-2-yl)phenoxy]ethanol
CID 166451717
1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene
CID 175733827
1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene
CID 79660195
(1S)-2,2-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249160

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene?
The IUPAC name of 2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene (CID 59987619) is 2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene?
The canonical SMILES for 2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene is CC(C)c1ccc(OC(F)(F)F)c(C(C)C)c1.
What is the InChIKey of 2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene?
The InChIKey is HZHNSLNDCBQDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O/c1-8(2)10-5-6-12(17-13(14,15)16)11(7-10)9(3)4/h5-9H,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene?
2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene has a molecular weight of 246.27 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 59987619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).