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

C14H7F7O — CID 71424392

IUPAC1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene
SMILESCOc1ccc(-c2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1
InChIInChI=1S/C14H7F7O/c1-22-7-4-2-6(3-5-7)8-10(15)12(17)9(14(19,20)21)13(18)11(8)16/h2-5H,1H3
InChIKeyZFFIOVNGZSWOBX-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.94
Rot. Bonds2

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

1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene (PubChem CID 71424392) has the molecular formula C14H7F7O and a molecular weight of 324.20 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene
PubChem CID71424392
Molecular FormulaC14H7F7O
Molecular Weight324.20 g/mol
Exact Mass324.04
IUPAC Name1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene
SMILESCOc1ccc(-c2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1
InChIInChI=1S/C14H7F7O/c1-22-7-4-2-6(3-5-7)8-10(15)12(17)9(14(19,20)21)13(18)11(8)16/h2-5H,1H3
InChIKeyZFFIOVNGZSWOBX-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(4-methoxyphenyl)phenyl]benzene
CID 102219520
1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
CID 46189438
1,4,6-trifluoro-9-(4-methoxyphenyl)-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87428650
3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369983
1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene
CID 178069232
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene
CID 139240862
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402
1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528
9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene
CID 87458156
10-(2,6-difluoro-4-methoxyphenyl)-1,2,3,4,6-pentafluoro-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 88877460
9-(2,6-difluoro-4-methoxyphenyl)-1,2,3,4,6-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87425822

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene (CID 71424392) is 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene is COc1ccc(-c2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene?
The InChIKey is ZFFIOVNGZSWOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F7O/c1-22-7-4-2-6(3-5-7)8-10(15)12(17)9(14(19,20)21)13(18)11(8)16/h2-5H,1H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene?
1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene has a molecular weight of 324.20 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene is sourced from PubChem (CID 71424392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).