1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene

C8H3Cl2F5 — CID 171009487

IUPAC1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
SMILESFC(F)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H3Cl2F5/c9-4-1-3(8(13,14)15)2-5(10)6(4)7(11)12/h1-2,7H
InChIKeyRAUIMKZDBVHRQS-UHFFFAOYSA-N
MW265.01 g/mol
LogP4.95
Rot. Bonds1

About 1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene

1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene (PubChem CID 171009487) has the molecular formula C8H3Cl2F5 and a molecular weight of 265.01 g/mol. Its IUPAC name is 1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
PubChem CID171009487
Molecular FormulaC8H3Cl2F5
Molecular Weight265.01 g/mol
Exact Mass263.95
IUPAC Name1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
SMILESFC(F)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H3Cl2F5/c9-4-1-3(8(13,14)15)2-5(10)6(4)7(11)12/h1-2,7H
InChIKeyRAUIMKZDBVHRQS-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.01
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene
CID 130277244
1-chloro-3-methylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)benzene
CID 166584199
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818684
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methylhydrazine
CID 142056538
5-(1-bromo-2,2,2-trifluoroethyl)-1,3-dichloro-2-(difluoromethyl)benzene
CID 130236766
5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene
CID 119001959
2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene
CID 171009202
2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 119003399
4,6-dichloro-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 118846674
N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine
CID 58121577
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene?
The IUPAC name of 1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene (CID 171009487) is 1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene is FC(F)c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene?
The InChIKey is RAUIMKZDBVHRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F5/c9-4-1-3(8(13,14)15)2-5(10)6(4)7(11)12/h1-2,7H.
What are the key properties of 1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene?
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene has a molecular weight of 265.01 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene is sourced from PubChem (CID 171009487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).