2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane

C6H6ClF3O2 — CID 58612476

IUPAC2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane
SMILESFC(F)(F)/C(Cl)=C/OCC1CO1
InChIInChI=1S/C6H6ClF3O2/c7-5(6(8,9)10)3-11-1-4-2-12-4/h3-4H,1-2H2/b5-3-
InChIKeyJYGDLERJJWQGAX-HYXAFXHYSA-N
MW202.56 g/mol
LogP2.04
Rot. Bonds3

About 2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane

2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane (PubChem CID 58612476) has the molecular formula C6H6ClF3O2 and a molecular weight of 202.56 g/mol. Its IUPAC name is 2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane
PubChem CID58612476
Molecular FormulaC6H6ClF3O2
Molecular Weight202.56 g/mol
Exact Mass202.00
IUPAC Name2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane
SMILESFC(F)(F)/C(Cl)=C/OCC1CO1
InChIInChI=1S/C6H6ClF3O2/c7-5(6(8,9)10)3-11-1-4-2-12-4/h3-4H,1-2H2/b5-3-
InChIKeyJYGDLERJJWQGAX-HYXAFXHYSA-N
XLogP2.04
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.56
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 58612472
2-[[(E)-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane
CID 58612473
2-[[(Z)-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 58612474
2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane
CID 58612478
2-{[(1,3,3,3-Tetrafluoroprop-1-en-1-yl)oxy]methyl}oxirane
CID 71405469
2-(2,3,3,3-Tetrafluoroprop-1-enoxymethyl)oxirane
CID 76837658
2-(3,3,3-Trifluoroprop-1-enoxymethyl)oxirane
CID 76837659
2-(2-Chloro-3,3,3-trifluoropropenyloxymethyl)-oxirane
CID 76837661
2-Pentafluoropropenyloxymethyl-oxirane
CID 76837663
2-[[(E)-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 87924473
2-[[(E)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane
CID 87924480
2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 87924656

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane?
The IUPAC name of 2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane (CID 58612476) is 2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane.
What is the SMILES notation for 2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane?
The canonical SMILES for 2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane is FC(F)(F)/C(Cl)=C/OCC1CO1.
What is the InChIKey of 2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane?
The InChIKey is JYGDLERJJWQGAX-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H6ClF3O2/c7-5(6(8,9)10)3-11-1-4-2-12-4/h3-4H,1-2H2/b5-3-.
What are the key properties of 2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane?
2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane has a molecular weight of 202.56 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane is sourced from PubChem (CID 58612476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).