1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene

C12H5F5O — CID 90981394

IUPAC1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene
SMILESFc1ccccc1Oc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C12H5F5O/c13-6-3-1-2-4-8(6)18-9-5-7(14)10(15)12(17)11(9)16/h1-5H
InChIKeyIMBFRSHEKFVCTA-UHFFFAOYSA-N
MW260.16 g/mol
LogP4.17
Rot. Bonds2

About 1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene

1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene (PubChem CID 90981394) has the molecular formula C12H5F5O and a molecular weight of 260.16 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene
PubChem CID90981394
Molecular FormulaC12H5F5O
Molecular Weight260.16 g/mol
Exact Mass260.03
IUPAC Name1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene
SMILESFc1ccccc1Oc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C12H5F5O/c13-6-3-1-2-4-8(6)18-9-5-7(14)10(15)12(17)11(9)16/h1-5H
InChIKeyIMBFRSHEKFVCTA-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
1-fluoro-2-(2-iodophenoxy)benzene
CID 11849671
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
CID 63565705
(2-fluorophenoxy)-dimethylsulfanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139727918
3-amino-4-(2-fluorophenoxy)phenol
CID 14722258
2-[2-(2-fluorophenoxy)phenyl]ethanamine
CID 63817709
[2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride
CID 157181289
3-fluoro-4-(2-fluorophenoxy)benzenecarbothioamide
CID 43658041

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene?
The IUPAC name of 1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene (CID 90981394) is 1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene.
What is the SMILES notation for 1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene?
The canonical SMILES for 1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene is Fc1ccccc1Oc1cc(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene?
The InChIKey is IMBFRSHEKFVCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F5O/c13-6-3-1-2-4-8(6)18-9-5-7(14)10(15)12(17)11(9)16/h1-5H.
What are the key properties of 1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene?
1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene has a molecular weight of 260.16 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene is sourced from PubChem (CID 90981394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).