1-benzyl-3,5-bis(trifluoromethyl)benzene

C15H10F6 — CID 11993967

IUPAC1-benzyl-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10F6/c16-14(17,18)12-7-11(6-10-4-2-1-3-5-10)8-13(9-12)15(19,20)21/h1-5,7-9H,6H2
InChIKeyBYTOZNNXTSCVNP-UHFFFAOYSA-N
MW304.23 g/mol
LogP5.32
Rot. Bonds2

About 1-benzyl-3,5-bis(trifluoromethyl)benzene

1-benzyl-3,5-bis(trifluoromethyl)benzene (PubChem CID 11993967) has the molecular formula C15H10F6 and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-benzyl-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-benzyl-3,5-bis(trifluoromethyl)benzene
PubChem CID11993967
Molecular FormulaC15H10F6
Molecular Weight304.23 g/mol
Exact Mass304.07
IUPAC Name1-benzyl-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10F6/c16-14(17,18)12-7-11(6-10-4-2-1-3-5-10)8-13(9-12)15(19,20)21/h1-5,7-9H,6H2
InChIKeyBYTOZNNXTSCVNP-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.23
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-benzyl-3,5-bis(trifluoromethyl)benzene (CID 11993967) is 1-benzyl-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-benzyl-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-benzyl-3,5-bis(trifluoromethyl)benzene is FC(F)(F)c1cc(Cc2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-benzyl-3,5-bis(trifluoromethyl)benzene?
The InChIKey is BYTOZNNXTSCVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6/c16-14(17,18)12-7-11(6-10-4-2-1-3-5-10)8-13(9-12)15(19,20)21/h1-5,7-9H,6H2.
What are the key properties of 1-benzyl-3,5-bis(trifluoromethyl)benzene?
1-benzyl-3,5-bis(trifluoromethyl)benzene has a molecular weight of 304.23 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 11993967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).