1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene

C12H13F3O — CID 176658555

IUPAC1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene
SMILESCc1cc(OCC(F)(F)F)cc(C2CC2)c1
InChIInChI=1S/C12H13F3O/c1-8-4-10(9-2-3-9)6-11(5-8)16-7-12(13,14)15/h4-6,9H,2-3,7H2,1H3
InChIKeyUOUHVOOAMHHAIB-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.81
Rot. Bonds3

About 1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene

1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene (PubChem CID 176658555) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene
PubChem CID176658555
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene
SMILESCc1cc(OCC(F)(F)F)cc(C2CC2)c1
InChIInChI=1S/C12H13F3O/c1-8-4-10(9-2-3-9)6-11(5-8)16-7-12(13,14)15/h4-6,9H,2-3,7H2,1H3
InChIKeyUOUHVOOAMHHAIB-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene (CID 176658555) is 1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene is Cc1cc(OCC(F)(F)F)cc(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is UOUHVOOAMHHAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-8-4-10(9-2-3-9)6-11(5-8)16-7-12(13,14)15/h4-6,9H,2-3,7H2,1H3.
What are the key properties of 1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene?
1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 230.23 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 176658555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).