1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene

C10H10ClF3O — CID 116932143

IUPAC1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene
SMILESCOc1cc(C)c(CC(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3O/c1-6-3-9(15-2)8(11)4-7(6)5-10(12,13)14/h3-4H,5H2,1-2H3
InChIKeyRYIQKZGPOWFEOV-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.76
Rot. Bonds2

About 1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene

1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene (PubChem CID 116932143) has the molecular formula C10H10ClF3O and a molecular weight of 238.64 g/mol. Its IUPAC name is 1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene
PubChem CID116932143
Molecular FormulaC10H10ClF3O
Molecular Weight238.64 g/mol
Exact Mass238.04
IUPAC Name1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene
SMILESCOc1cc(C)c(CC(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3O/c1-6-3-9(15-2)8(11)4-7(6)5-10(12,13)14/h3-4H,5H2,1-2H3
InChIKeyRYIQKZGPOWFEOV-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 70849706
1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257865
N'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836
2-N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131913
1-chloro-5-(chloromethyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 171007479
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetic acid
CID 82483229
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(chloromethyl)-N-methylethanamine
CID 115263511

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene (CID 116932143) is 1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene is COc1cc(C)c(CC(F)(F)F)cc1Cl.
What is the InChIKey of 1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene?
The InChIKey is RYIQKZGPOWFEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O/c1-6-3-9(15-2)8(11)4-7(6)5-10(12,13)14/h3-4H,5H2,1-2H3.
What are the key properties of 1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene?
1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene has a molecular weight of 238.64 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 116932143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).