1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene

C13H7Cl2F3O — CID 154508539

IUPAC1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene
SMILESFC(F)(F)c1ccccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7Cl2F3O/c14-8-5-9(15)7-10(6-8)19-12-4-2-1-3-11(12)13(16,17)18/h1-7H
InChIKeyMLYDSFUOIMZUCT-UHFFFAOYSA-N
MW307.10 g/mol
LogP5.80
Rot. Bonds2

About 1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene

1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene (PubChem CID 154508539) has the molecular formula C13H7Cl2F3O and a molecular weight of 307.10 g/mol. Its IUPAC name is 1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene
PubChem CID154508539
Molecular FormulaC13H7Cl2F3O
Molecular Weight307.10 g/mol
Exact Mass305.98
IUPAC Name1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene
SMILESFC(F)(F)c1ccccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7Cl2F3O/c14-8-5-9(15)7-10(6-8)19-12-4-2-1-3-11(12)13(16,17)18/h1-7H
InChIKeyMLYDSFUOIMZUCT-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.10
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane
CID 87300130
1-ethynyl-4-[2-(trifluoromethyl)phenoxy]benzene
CID 155887443
2,4-bis(trifluoromethyl)-5-[2-(trifluoromethyl)phenoxy]aniline
CID 57128083
3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenoxy]phthalic acid
CID 175510558
4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine
CID 80862866
1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene
CID 28946947
2-chloro-6-[2-(trifluoromethyl)phenoxy]pyridine
CID 63588771
[2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622066
1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 106531188
3-[2-(trifluoromethyl)phenoxy]benzamide
CID 133055658
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde
CID 22283553
2-nitro-1,4-bis[2-(trifluoromethyl)phenoxy]benzene
CID 97178511

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene?
The IUPAC name of 1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene (CID 154508539) is 1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene.
What is the SMILES notation for 1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene?
The canonical SMILES for 1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene is FC(F)(F)c1ccccc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene?
The InChIKey is MLYDSFUOIMZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3O/c14-8-5-9(15)7-10(6-8)19-12-4-2-1-3-11(12)13(16,17)18/h1-7H.
What are the key properties of 1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene?
1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene has a molecular weight of 307.10 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene is sourced from PubChem (CID 154508539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).