1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene

C13H6Cl2F4 — CID 134623705

IUPAC1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
SMILESFc1cc(-c2cc(Cl)cc(Cl)c2)ccc1C(F)(F)F
InChIInChI=1S/C13H6Cl2F4/c14-9-3-8(4-10(15)6-9)7-1-2-11(12(16)5-7)13(17,18)19/h1-6H
InChIKeyXLRQQBSQTWEBIU-UHFFFAOYSA-N
MW309.09 g/mol
LogP5.82
Rot. Bonds1

About 1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene

1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene (PubChem CID 134623705) has the molecular formula C13H6Cl2F4 and a molecular weight of 309.09 g/mol. Its IUPAC name is 1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
PubChem CID134623705
Molecular FormulaC13H6Cl2F4
Molecular Weight309.09 g/mol
Exact Mass307.98
IUPAC Name1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
SMILESFc1cc(-c2cc(Cl)cc(Cl)c2)ccc1C(F)(F)F
InChIInChI=1S/C13H6Cl2F4/c14-9-3-8(4-10(15)6-9)7-1-2-11(12(16)5-7)13(17,18)19/h1-6H
InChIKeyXLRQQBSQTWEBIU-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.09
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
[2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 107289712
4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde
CID 107289657
3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine
CID 107290372
1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
CID 57139215
6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole
CID 90905265
4-(3,5-dichlorophenyl)-1-nitro-2-(trifluoromethyl)benzene
CID 134623765
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918
4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 125457222

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene (CID 134623705) is 1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene is Fc1cc(-c2cc(Cl)cc(Cl)c2)ccc1C(F)(F)F.
What is the InChIKey of 1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene?
The InChIKey is XLRQQBSQTWEBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F4/c14-9-3-8(4-10(15)6-9)7-1-2-11(12(16)5-7)13(17,18)19/h1-6H.
What are the key properties of 1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene?
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene has a molecular weight of 309.09 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134623705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).