1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene

C13H7F5O — CID 112769771

IUPAC1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C13H7F5O/c14-8-3-1-7(2-4-8)6-19-13-11(17)9(15)5-10(16)12(13)18/h1-5H,6H2
InChIKeyIBUICDZGFXNFBT-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.96
Rot. Bonds3

About 1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene

1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene (PubChem CID 112769771) has the molecular formula C13H7F5O and a molecular weight of 274.19 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene
PubChem CID112769771
Molecular FormulaC13H7F5O
Molecular Weight274.19 g/mol
Exact Mass274.04
IUPAC Name1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C13H7F5O/c14-8-3-1-7(2-4-8)6-19-13-11(17)9(15)5-10(16)12(13)18/h1-5H,6H2
InChIKeyIBUICDZGFXNFBT-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.96
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

5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109
4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
CID 17424462
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
1,3-dibromo-5-(chloromethyl)-2-[(4-fluorophenyl)methoxy]benzene
CID 107745218
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole
CID 112769783
[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine
CID 103289061
3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid
CID 79887700
3,5-dimethyl-1-[4-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]pyrazole
CID 112819165
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline
CID 65126930
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 893259

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene (CID 112769771) is 1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene is Fc1ccc(COc2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene?
The InChIKey is IBUICDZGFXNFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5O/c14-8-3-1-7(2-4-8)6-19-13-11(17)9(15)5-10(16)12(13)18/h1-5H,6H2.
What are the key properties of 1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene?
1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene has a molecular weight of 274.19 g/mol, XLogP of 3.96, 3 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-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 112769771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).