1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene

C10H9F5O — CID 14322641

IUPAC1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H9F5O/c1-10(2,3)16-9-7(14)5(12)4(11)6(13)8(9)15/h1-3H3
InChIKeyBPRFUAHELRLOET-UHFFFAOYSA-N
MW240.17 g/mol
LogP3.56
Rot. Bonds1

About 1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene

1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 14322641) has the molecular formula C10H9F5O and a molecular weight of 240.17 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID14322641
Molecular FormulaC10H9F5O
Molecular Weight240.17 g/mol
Exact Mass240.06
IUPAC Name1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H9F5O/c1-10(2,3)16-9-7(14)5(12)4(11)6(13)8(9)15/h1-3H3
InChIKeyBPRFUAHELRLOET-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene (CID 14322641) is 1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is BPRFUAHELRLOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5O/c1-10(2,3)16-9-7(14)5(12)4(11)6(13)8(9)15/h1-3H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene?
1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 240.17 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 14322641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).