1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene

C14H10F4 — CID 89328807

IUPAC1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C14H10F4/c1-8-2-4-9(5-3-8)6-10-7-11(15)13(17)14(18)12(10)16/h2-5,7H,6H2,1H3
InChIKeyMQUJOVPTWCHARR-UHFFFAOYSA-N
MW254.23 g/mol
LogP4.14
Rot. Bonds2

About 1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene

1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene (PubChem CID 89328807) has the molecular formula C14H10F4 and a molecular weight of 254.23 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene
PubChem CID89328807
Molecular FormulaC14H10F4
Molecular Weight254.23 g/mol
Exact Mass254.07
IUPAC Name1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C14H10F4/c1-8-2-4-9(5-3-8)6-10-7-11(15)13(17)14(18)12(10)16/h2-5,7H,6H2,1H3
InChIKeyMQUJOVPTWCHARR-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene (CID 89328807) is 1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene is Cc1ccc(Cc2cc(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene?
The InChIKey is MQUJOVPTWCHARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4/c1-8-2-4-9(5-3-8)6-10-7-11(15)13(17)14(18)12(10)16/h2-5,7H,6H2,1H3.
What are the key properties of 1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene?
1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene has a molecular weight of 254.23 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 89328807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).