1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene

C15H11F5O — CID 143727087

IUPAC1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene
SMILESCc1ccc(OCc2cc(F)c(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C15H11F5O/c1-9-2-4-11(5-3-9)21-8-10-6-12(16)14(13(17)7-10)15(18,19)20/h2-7H,8H2,1H3
InChIKeyKNHAQWGIUHOXHZ-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.87
Rot. Bonds3

About 1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene

1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene (PubChem CID 143727087) has the molecular formula C15H11F5O and a molecular weight of 302.24 g/mol. Its IUPAC name is 1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene
PubChem CID143727087
Molecular FormulaC15H11F5O
Molecular Weight302.24 g/mol
Exact Mass302.07
IUPAC Name1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene
SMILESCc1ccc(OCc2cc(F)c(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C15H11F5O/c1-9-2-4-11(5-3-9)21-8-10-6-12(16)14(13(17)7-10)15(18,19)20/h2-7H,8H2,1H3
InChIKeyKNHAQWGIUHOXHZ-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene (CID 143727087) is 1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene is Cc1ccc(OCc2cc(F)c(C(F)(F)F)c(F)c2)cc1.
What is the InChIKey of 1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene?
The InChIKey is KNHAQWGIUHOXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5O/c1-9-2-4-11(5-3-9)21-8-10-6-12(16)14(13(17)7-10)15(18,19)20/h2-7H,8H2,1H3.
What are the key properties of 1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene?
1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene has a molecular weight of 302.24 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 143727087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).