1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene

C9H7Cl2F3O — CID 116932155

IUPAC1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene
SMILESCOc1c(Cl)cc(Cl)cc1CC(F)(F)F
InChIInChI=1S/C9H7Cl2F3O/c1-15-8-5(4-9(12,13)14)2-6(10)3-7(8)11/h2-3H,4H2,1H3
InChIKeyBBDSEYKNGWPSIR-UHFFFAOYSA-N
MW259.05 g/mol
LogP4.11
Rot. Bonds2

About 1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene

1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene (PubChem CID 116932155) has the molecular formula C9H7Cl2F3O and a molecular weight of 259.05 g/mol. Its IUPAC name is 1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene
PubChem CID116932155
Molecular FormulaC9H7Cl2F3O
Molecular Weight259.05 g/mol
Exact Mass257.98
IUPAC Name1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene
SMILESCOc1c(Cl)cc(Cl)cc1CC(F)(F)F
InChIInChI=1S/C9H7Cl2F3O/c1-15-8-5(4-9(12,13)14)2-6(10)3-7(8)11/h2-3H,4H2,1H3
InChIKeyBBDSEYKNGWPSIR-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
1,5-dichloro-3-(2-chloroethyl)-2-methoxybenzene
CID 82477195
1-(2-bromoethyl)-3,5-dichloro-2-methoxybenzene
CID 82489523
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol
CID 83941161
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 4722977
2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene
CID 116932163
methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate
CID 110782986
N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine
CID 115226065
1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene
CID 116932143
1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260966

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene (CID 116932155) is 1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene is COc1c(Cl)cc(Cl)cc1CC(F)(F)F.
What is the InChIKey of 1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene?
The InChIKey is BBDSEYKNGWPSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F3O/c1-15-8-5(4-9(12,13)14)2-6(10)3-7(8)11/h2-3H,4H2,1H3.
What are the key properties of 1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene?
1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene has a molecular weight of 259.05 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 116932155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).