4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene

C9H8ClF3O — CID 89476469

IUPAC4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene
SMILESCOCc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H8ClF3O/c1-14-5-6-2-3-7(10)4-8(6)9(11,12)13/h2-4H,5H2,1H3
InChIKeyMTANQADOKYETDE-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.51
Rot. Bonds2

About 4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene

4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene (PubChem CID 89476469) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene
PubChem CID89476469
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene
SMILESCOCc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H8ClF3O/c1-14-5-6-2-3-7(10)4-8(6)9(11,12)13/h2-4H,5H2,1H3
InChIKeyMTANQADOKYETDE-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene (CID 89476469) is 4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene is COCc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene?
The InChIKey is MTANQADOKYETDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c1-14-5-6-2-3-7(10)4-8(6)9(11,12)13/h2-4H,5H2,1H3.
What are the key properties of 4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene?
4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene has a molecular weight of 224.61 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 89476469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).