1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene

C16H23F3O — CID 134237189

IUPAC1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(OC(F)(F)F)c(C(C)C)c1C(C)C
InChIInChI=1S/C16H23F3O/c1-9(2)12-7-8-13(20-16(17,18)19)15(11(5)6)14(12)10(3)4/h7-11H,1-6H3
InChIKeyRHRPVSGMBNLNMA-UHFFFAOYSA-N
MW288.35 g/mol
LogP5.96
Rot. Bonds4

About 1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene

1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene (PubChem CID 134237189) has the molecular formula C16H23F3O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene
PubChem CID134237189
Molecular FormulaC16H23F3O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(OC(F)(F)F)c(C(C)C)c1C(C)C
InChIInChI=1S/C16H23F3O/c1-9(2)12-7-8-13(20-16(17,18)19)15(11(5)6)14(12)10(3)4/h7-11H,1-6H3
InChIKeyRHRPVSGMBNLNMA-UHFFFAOYSA-N
XLogP5.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene
CID 59987619
3-ethyl-2-methylsulfanyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 155183427
3-propan-2-yl-4-(trifluoromethoxy)pyridine
CID 138513813
1-[2,3,4-tris(trifluoromethoxy)phenyl]ethanamine
CID 139966129
1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene
CID 57110357
1,2-di(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 59455097
benzyl 2-[2-fluoro-6-propan-2-yl-3-(trifluoromethoxy)phenyl]propanoate
CID 134398028
N-methyl-1-[2,3,6-tris(trifluoromethoxy)phenyl]ethanamine
CID 139966111
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586
1-tert-butyl-5-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene
CID 176750552
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane
CID 137441560

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene?
The IUPAC name of 1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene (CID 134237189) is 1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene is CC(C)c1ccc(OC(F)(F)F)c(C(C)C)c1C(C)C.
What is the InChIKey of 1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene?
The InChIKey is RHRPVSGMBNLNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O/c1-9(2)12-7-8-13(20-16(17,18)19)15(11(5)6)14(12)10(3)4/h7-11H,1-6H3.
What are the key properties of 1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene?
1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene has a molecular weight of 288.35 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 134237189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).