2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane

C14H11ClF6O2 — CID 162383833

IUPAC2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane
SMILESFC(F)(F)COc1ccc(C2(C3(C(F)(F)F)CC3)CO2)c(Cl)c1
InChIInChI=1S/C14H11ClF6O2/c15-10-5-8(22-7-13(16,17)18)1-2-9(10)12(6-23-12)11(3-4-11)14(19,20)21/h1-2,5H,3-4,6-7H2
InChIKeyUXOWSTIPDSGNDS-UHFFFAOYSA-N
MW360.68 g/mol
LogP4.85
Rot. Bonds4

About 2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane

2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane (PubChem CID 162383833) has the molecular formula C14H11ClF6O2 and a molecular weight of 360.68 g/mol. Its IUPAC name is 2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane.

Molecular Properties

Compound Name2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane
PubChem CID162383833
Molecular FormulaC14H11ClF6O2
Molecular Weight360.68 g/mol
Exact Mass360.04
IUPAC Name2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane
SMILESFC(F)(F)COc1ccc(C2(C3(C(F)(F)F)CC3)CO2)c(Cl)c1
InChIInChI=1S/C14H11ClF6O2/c15-10-5-8(22-7-13(16,17)18)1-2-9(10)12(6-23-12)11(3-4-11)14(19,20)21/h1-2,5H,3-4,6-7H2
InChIKeyUXOWSTIPDSGNDS-UHFFFAOYSA-N
XLogP4.85
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 54.85
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-(2,4-dichlorophenyl)-2-(trifluoromethyl)oxirane
CID 86097385
3-methyl-7-(2,2,2-trifluoroethoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 59257929
7-[4-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]butoxy]-3,4-dihydro-2H-chromene-2-carbaldehyde
CID 142158555
8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane
CID 141308716
2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole
CID 155083784
2-(2,2,2-trifluoroethoxy)naphthalene
CID 21269180
2-chloro-4-(2,2,2-trifluoroethoxymethoxy)aniline
CID 106704391
1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol
CID 167932975
(2S,3S,4R)-5-[4-chloro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
CID 140608278
2,2,2-trifluoroacetic acid;5-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-isoindole
CID 86607009
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
5-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,3-dihydro-1H-isoindole
CID 145346706

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane?
The IUPAC name of 2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane (CID 162383833) is 2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane.
What is the SMILES notation for 2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane?
The canonical SMILES for 2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane is FC(F)(F)COc1ccc(C2(C3(C(F)(F)F)CC3)CO2)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane?
The InChIKey is UXOWSTIPDSGNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF6O2/c15-10-5-8(22-7-13(16,17)18)1-2-9(10)12(6-23-12)11(3-4-11)14(19,20)21/h1-2,5H,3-4,6-7H2.
What are the key properties of 2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane?
2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane has a molecular weight of 360.68 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-[1-(trifluoromethyl)cyclopropyl]oxirane is sourced from PubChem (CID 162383833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).