1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene

C10H11F3O — CID 166607816

IUPAC1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1c(F)ccc(F)c1F
InChIInChI=1S/C10H11F3O/c1-10(2,3)14-9-7(12)5-4-6(11)8(9)13/h4-5H,1-3H3
InChIKeyGPCFFRZBVYDZLB-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.28
Rot. Bonds1

About 1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene

1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 166607816) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID166607816
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1c(F)ccc(F)c1F
InChIInChI=1S/C10H11F3O/c1-10(2,3)14-9-7(12)5-4-6(11)8(9)13/h4-5H,1-3H3
InChIKeyGPCFFRZBVYDZLB-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2,4,5-tetrafluoro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 12615516
1,2,3,5-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167118771
1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
CID 58073941
1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene
CID 22625262
1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene
CID 155096274
1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 174481026
3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline
CID 62533760
3-(2,3-difluoro-6-methoxyphenoxy)-2,3-dimethylbutan-2-ol
CID 175334356
(2,3,6-trifluorophenyl) acetate
CID 23297688
1-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 123252856
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene
CID 155471458

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene (CID 166607816) is 1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1c(F)ccc(F)c1F.
What is the InChIKey of 1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is GPCFFRZBVYDZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-10(2,3)14-9-7(12)5-4-6(11)8(9)13/h4-5H,1-3H3.
What are the key properties of 1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene?
1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 204.19 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 166607816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).