1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene

C15H9F7 — CID 175079511

IUPAC1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene
SMILESCc1cc(F)c(C(F)(F)C(F)(F)c2ccccc2)c(F)c1F
InChIInChI=1S/C15H9F7/c1-8-7-10(16)11(13(18)12(8)17)15(21,22)14(19,20)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyRXUJSOUIDCIEKX-UHFFFAOYSA-N
MW322.22 g/mol
LogP5.30
Rot. Bonds3

About 1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene

1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene (PubChem CID 175079511) has the molecular formula C15H9F7 and a molecular weight of 322.22 g/mol. Its IUPAC name is 1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene.

Molecular Properties

Compound Name1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene
PubChem CID175079511
Molecular FormulaC15H9F7
Molecular Weight322.22 g/mol
Exact Mass322.06
IUPAC Name1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene
SMILESCc1cc(F)c(C(F)(F)C(F)(F)c2ccccc2)c(F)c1F
InChIInChI=1S/C15H9F7/c1-8-7-10(16)11(13(18)12(8)17)15(21,22)14(19,20)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyRXUJSOUIDCIEKX-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.22
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene?
The IUPAC name of 1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene (CID 175079511) is 1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene.
What is the SMILES notation for 1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene?
The canonical SMILES for 1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene is Cc1cc(F)c(C(F)(F)C(F)(F)c2ccccc2)c(F)c1F.
What is the InChIKey of 1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene?
The InChIKey is RXUJSOUIDCIEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F7/c1-8-7-10(16)11(13(18)12(8)17)15(21,22)14(19,20)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene?
1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene has a molecular weight of 322.22 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene is sourced from PubChem (CID 175079511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).