1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene

C12H13F3O2 — CID 102423314

IUPAC1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene
SMILESCOC1C(OC)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3O2/c1-16-10-9(11(10)17-2)7-3-5-8(6-4-7)12(13,14)15/h3-6,9-11H,1-2H3
InChIKeyHLMYFNRGOLDCBR-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.83
Rot. Bonds3

About 1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene

1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene (PubChem CID 102423314) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene
PubChem CID102423314
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene
SMILESCOC1C(OC)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3O2/c1-16-10-9(11(10)17-2)7-3-5-8(6-4-7)12(13,14)15/h3-6,9-11H,1-2H3
InChIKeyHLMYFNRGOLDCBR-UHFFFAOYSA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene (CID 102423314) is 1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene is COC1C(OC)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene?
The InChIKey is HLMYFNRGOLDCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-16-10-9(11(10)17-2)7-3-5-8(6-4-7)12(13,14)15/h3-6,9-11H,1-2H3.
What are the key properties of 1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene?
1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene has a molecular weight of 246.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxycyclopropyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 102423314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).