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

C14H7F7 — CID 154487763

IUPAC1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1Cc1ccccc1
InChIInChI=1S/C14H7F7/c15-10-8(6-7-4-2-1-3-5-7)11(16)13(18)9(12(10)17)14(19,20)21/h1-5H,6H2
InChIKeyPARCGIXGEUCFNW-UHFFFAOYSA-N
MW308.20 g/mol
LogP4.85
Rot. Bonds2

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

1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (PubChem CID 154487763) has the molecular formula C14H7F7 and a molecular weight of 308.20 g/mol. Its IUPAC name is 1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
PubChem CID154487763
Molecular FormulaC14H7F7
Molecular Weight308.20 g/mol
Exact Mass308.04
IUPAC Name1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1Cc1ccccc1
InChIInChI=1S/C14H7F7/c15-10-8(6-7-4-2-1-3-5-7)11(16)13(18)9(12(10)17)14(19,20)21/h1-5H,6H2
InChIKeyPARCGIXGEUCFNW-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 54.85
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-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The IUPAC name of 1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (CID 154487763) is 1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene is Fc1c(F)c(C(F)(F)F)c(F)c(F)c1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The InChIKey is PARCGIXGEUCFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F7/c15-10-8(6-7-4-2-1-3-5-7)11(16)13(18)9(12(10)17)14(19,20)21/h1-5H,6H2.
What are the key properties of 1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene has a molecular weight of 308.20 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 154487763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).