1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene

C14H12F10 — CID 173293488

IUPAC1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene
SMILESCC(C)Cc1ccc(C(F)(F)C(F)(F)F)cc1C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12F10/c1-7(2)5-8-3-4-9(11(15,16)13(19,20)21)6-10(8)12(17,18)14(22,23)24/h3-4,6-7H,5H2,1-2H3
InChIKeyCXOHOTKKQPNOTD-UHFFFAOYSA-N
MW370.23 g/mol
LogP6.19
Rot. Bonds4

About 1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene

1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene (PubChem CID 173293488) has the molecular formula C14H12F10 and a molecular weight of 370.23 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene
PubChem CID173293488
Molecular FormulaC14H12F10
Molecular Weight370.23 g/mol
Exact Mass370.08
IUPAC Name1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene
SMILESCC(C)Cc1ccc(C(F)(F)C(F)(F)F)cc1C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12F10/c1-7(2)5-8-3-4-9(11(15,16)13(19,20)21)6-10(8)12(17,18)14(22,23)24/h3-4,6-7H,5H2,1-2H3
InChIKeyCXOHOTKKQPNOTD-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.23
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
1,2,3-Trimethylbenzene
CID 10686
M-Cymene
CID 10812
O-Cymene
CID 10703
Curcumene
CID 92139
1,3-Diisopropylbenzene
CID 7450
1,2,3,4-Tetramethylbenzene
CID 10263
1,2,3,5-Tetramethylbenzene
CID 10695
Bis(1-methylethyl)benzene
CID 11345
1,4-Diisopropylbenzene
CID 7486
1,2-Dimethyl-4-ethylbenzene
CID 13629

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene?
The IUPAC name of 1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene (CID 173293488) is 1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene.
What is the SMILES notation for 1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene?
The canonical SMILES for 1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene is CC(C)Cc1ccc(C(F)(F)C(F)(F)F)cc1C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene?
The InChIKey is CXOHOTKKQPNOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F10/c1-7(2)5-8-3-4-9(11(15,16)13(19,20)21)6-10(8)12(17,18)14(22,23)24/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene?
1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene has a molecular weight of 370.23 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene is sourced from PubChem (CID 173293488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).