1-methyl-4-(1,1,2-trifluoroethoxy)benzene

C9H9F3O — CID 21027867

IUPAC1-methyl-4-(1,1,2-trifluoroethoxy)benzene
SMILESCc1ccc(OC(F)(F)CF)cc1
InChIInChI=1S/C9H9F3O/c1-7-2-4-8(5-3-7)13-9(11,12)6-10/h2-5H,6H2,1H3
InChIKeySUTIIJHNLHCXQO-UHFFFAOYSA-N
MW190.16 g/mol
LogP2.94
Rot. Bonds3

About 1-methyl-4-(1,1,2-trifluoroethoxy)benzene

1-methyl-4-(1,1,2-trifluoroethoxy)benzene (PubChem CID 21027867) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is 1-methyl-4-(1,1,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(1,1,2-trifluoroethoxy)benzene
PubChem CID21027867
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name1-methyl-4-(1,1,2-trifluoroethoxy)benzene
SMILESCc1ccc(OC(F)(F)CF)cc1
InChIInChI=1S/C9H9F3O/c1-7-2-4-8(5-3-7)13-9(11,12)6-10/h2-5H,6H2,1H3
InChIKeySUTIIJHNLHCXQO-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,1,2-trifluoroethoxy)benzene?
The IUPAC name of 1-methyl-4-(1,1,2-trifluoroethoxy)benzene (CID 21027867) is 1-methyl-4-(1,1,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-methyl-4-(1,1,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-methyl-4-(1,1,2-trifluoroethoxy)benzene is Cc1ccc(OC(F)(F)CF)cc1.
What is the InChIKey of 1-methyl-4-(1,1,2-trifluoroethoxy)benzene?
The InChIKey is SUTIIJHNLHCXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O/c1-7-2-4-8(5-3-7)13-9(11,12)6-10/h2-5H,6H2,1H3.
What are the key properties of 1-methyl-4-(1,1,2-trifluoroethoxy)benzene?
1-methyl-4-(1,1,2-trifluoroethoxy)benzene has a molecular weight of 190.16 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,1,2-trifluoroethoxy)benzene is sourced from PubChem (CID 21027867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).