1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene

C14H9F5O — CID 155471458

IUPAC1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene
SMILESCc1ccc(-c2ccc(F)c(OC(F)(F)F)c2F)cc1
InChIInChI=1S/C14H9F5O/c1-8-2-4-9(5-3-8)10-6-7-11(15)13(12(10)16)20-14(17,18)19/h2-7H,1H3
InChIKeyQYMOOWOVYSJFRP-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.84
Rot. Bonds2

About 1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene

1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene (PubChem CID 155471458) has the molecular formula C14H9F5O and a molecular weight of 288.22 g/mol. Its IUPAC name is 1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene
PubChem CID155471458
Molecular FormulaC14H9F5O
Molecular Weight288.22 g/mol
Exact Mass288.06
IUPAC Name1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene
SMILESCc1ccc(-c2ccc(F)c(OC(F)(F)F)c2F)cc1
InChIInChI=1S/C14H9F5O/c1-8-2-4-9(5-3-8)10-6-7-11(15)13(12(10)16)20-14(17,18)19/h2-7H,1H3
InChIKeyQYMOOWOVYSJFRP-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene?
The IUPAC name of 1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene (CID 155471458) is 1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene is Cc1ccc(-c2ccc(F)c(OC(F)(F)F)c2F)cc1.
What is the InChIKey of 1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene?
The InChIKey is QYMOOWOVYSJFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5O/c1-8-2-4-9(5-3-8)10-6-7-11(15)13(12(10)16)20-14(17,18)19/h2-7H,1H3.
What are the key properties of 1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene?
1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene has a molecular weight of 288.22 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 155471458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).