1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene

C10F14 — CID 2776193

IUPAC1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene
SMILESFc1c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c(F)c1C(F)(F)F
InChIInChI=1S/C10F14/c11-3-1(7(15,9(19,20)21)10(22,23)24)4(12)6(14)2(5(3)13)8(16,17)18
InChIKeyCKGPOWZUEZFLPG-UHFFFAOYSA-N
MW386.08 g/mol
LogP5.55
Rot. Bonds1

About 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene

1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene (PubChem CID 2776193) has the molecular formula C10F14 and a molecular weight of 386.08 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene
PubChem CID2776193
Molecular FormulaC10F14
Molecular Weight386.08 g/mol
Exact Mass385.98
IUPAC Name1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene
SMILESFc1c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c(F)c1C(F)(F)F
InChIInChI=1S/C10F14/c11-3-1(7(15,9(19,20)21)10(22,23)24)4(12)6(14)2(5(3)13)8(16,17)18
InChIKeyCKGPOWZUEZFLPG-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.08
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene (CID 2776193) is 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene is Fc1c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c(F)c1C(F)(F)F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene?
The InChIKey is CKGPOWZUEZFLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F14/c11-3-1(7(15,9(19,20)21)10(22,23)24)4(12)6(14)2(5(3)13)8(16,17)18.
What are the key properties of 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene?
1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene has a molecular weight of 386.08 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene is sourced from PubChem (CID 2776193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).