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

C9H7Cl2F3O — CID 13059279

IUPAC1,3-dichloro-2-ethoxy-5-(trifluoromethyl)benzene
SMILESCCOc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7Cl2F3O/c1-2-15-8-6(10)3-5(4-7(8)11)9(12,13)14/h3-4H,2H2,1H3
InChIKeySZSOPQSWZIQANE-UHFFFAOYSA-N
MW259.05 g/mol
LogP4.41
Rot. Bonds2

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

1,3-dichloro-2-ethoxy-5-(trifluoromethyl)benzene (PubChem CID 13059279) has the molecular formula C9H7Cl2F3O and a molecular weight of 259.05 g/mol. Its IUPAC name is 1,3-dichloro-2-ethoxy-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-ethoxy-5-(trifluoromethyl)benzene
PubChem CID13059279
Molecular FormulaC9H7Cl2F3O
Molecular Weight259.05 g/mol
Exact Mass257.98
IUPAC Name1,3-dichloro-2-ethoxy-5-(trifluoromethyl)benzene
SMILESCCOc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7Cl2F3O/c1-2-15-8-6(10)3-5(4-7(8)11)9(12,13)14/h3-4H,2H2,1H3
InChIKeySZSOPQSWZIQANE-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Chloro-4-methoxytoluene
CID 140873
2-Chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene
CID 155146174
4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene
CID 2773849
3-Chloro-5-fluoro-4-methoxybenzyl bromide
CID 3294781
3-(2,6-Dichloro-4-methylphenoxy)-1-propanol
CID 21134420
2-(2-Chloro-4-methylphenoxy)propanenitrile
CID 62669340
4-Tert-butyl-2-chloro-1-(2-chloroethoxy)benzene
CID 220308
2-Chloro-4-ethynyl-1-methoxybenzene
CID 6431983
3-Chloro-4-methoxybenzyl chloride
CID 11159814
1,3-Dichloro-5-(chloromethyl)-2-methoxybenzene
CID 12236350
2-(3,5-Dichloro-4-methoxyphenyl)acetonitrile
CID 24972924
1,5-Dichloro-3-(chloromethyl)-2-methoxybenzene
CID 43516332

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-ethoxy-5-(trifluoromethyl)benzene?
The IUPAC name of 1,3-dichloro-2-ethoxy-5-(trifluoromethyl)benzene (CID 13059279) is 1,3-dichloro-2-ethoxy-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-ethoxy-5-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-dichloro-2-ethoxy-5-(trifluoromethyl)benzene is CCOc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1,3-dichloro-2-ethoxy-5-(trifluoromethyl)benzene?
The InChIKey is SZSOPQSWZIQANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F3O/c1-2-15-8-6(10)3-5(4-7(8)11)9(12,13)14/h3-4H,2H2,1H3.
What are the key properties of 1,3-dichloro-2-ethoxy-5-(trifluoromethyl)benzene?
1,3-dichloro-2-ethoxy-5-(trifluoromethyl)benzene has a molecular weight of 259.05 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-ethoxy-5-(trifluoromethyl)benzene is sourced from PubChem (CID 13059279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).