2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane

C15H19F3O2 — CID 83921126

IUPAC2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane
SMILESCCC1OC1C(C)Cc1cc(C(F)(F)F)ccc1OC
InChIInChI=1S/C15H19F3O2/c1-4-12-14(20-12)9(2)7-10-8-11(15(16,17)18)5-6-13(10)19-3/h5-6,8-9,12,14H,4,7H2,1-3H3
InChIKeyPFCBQGOVJLWIPP-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.07
Rot. Bonds5

About 2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane

2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane (PubChem CID 83921126) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane.

Molecular Properties

Compound Name2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane
PubChem CID83921126
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane
SMILESCCC1OC1C(C)Cc1cc(C(F)(F)F)ccc1OC
InChIInChI=1S/C15H19F3O2/c1-4-12-14(20-12)9(2)7-10-8-11(15(16,17)18)5-6-13(10)19-3/h5-6,8-9,12,14H,4,7H2,1-3H3
InChIKeyPFCBQGOVJLWIPP-UHFFFAOYSA-N
XLogP4.07
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane
CID 83938406
N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 134817377
2-[1-(3-tert-butyl-4-propoxyphenyl)propan-2-yl]-3-ethyloxirane
CID 83934518
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine
CID 70283976
2-[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-3-methyloxirane
CID 83921462
2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]butyl]-3-ethyloxirane
CID 83921243
1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene
CID 163970226
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82262287
3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-2-methylpropanoic acid
CID 117398962
1-(2,2-dimethylpropyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 130220201
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane?
The IUPAC name of 2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane (CID 83921126) is 2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane.
What is the SMILES notation for 2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane?
The canonical SMILES for 2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane is CCC1OC1C(C)Cc1cc(C(F)(F)F)ccc1OC.
What is the InChIKey of 2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane?
The InChIKey is PFCBQGOVJLWIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c1-4-12-14(20-12)9(2)7-10-8-11(15(16,17)18)5-6-13(10)19-3/h5-6,8-9,12,14H,4,7H2,1-3H3.
What are the key properties of 2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane?
2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane has a molecular weight of 288.31 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane is sourced from PubChem (CID 83921126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).