1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene

C14H17F3O2 — CID 165344503

IUPAC1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene
SMILESCC(C)Oc1c(OCC2CC2)cccc1C(F)(F)F
InChIInChI=1S/C14H17F3O2/c1-9(2)19-13-11(14(15,16)17)4-3-5-12(13)18-8-10-6-7-10/h3-5,9-10H,6-8H2,1-2H3
InChIKeyIRSHGBZKFIWYML-UHFFFAOYSA-N
MW274.28 g/mol
LogP4.28
Rot. Bonds5

About 1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene

1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene (PubChem CID 165344503) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene
PubChem CID165344503
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene
SMILESCC(C)Oc1c(OCC2CC2)cccc1C(F)(F)F
InChIInChI=1S/C14H17F3O2/c1-9(2)19-13-11(14(15,16)17)4-3-5-12(13)18-8-10-6-7-10/h3-5,9-10H,6-8H2,1-2H3
InChIKeyIRSHGBZKFIWYML-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene (CID 165344503) is 1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene is CC(C)Oc1c(OCC2CC2)cccc1C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene?
The InChIKey is IRSHGBZKFIWYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c1-9(2)19-13-11(14(15,16)17)4-3-5-12(13)18-8-10-6-7-10/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene?
1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene has a molecular weight of 274.28 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 165344503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).