2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane

C10H13F5O2 — CID 150795142

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane
SMILESCC=COCCCC1(C(F)(F)C(F)(F)F)CO1
InChIInChI=1S/C10H13F5O2/c1-2-5-16-6-3-4-8(7-17-8)9(11,12)10(13,14)15/h2,5H,3-4,6-7H2,1H3
InChIKeyKERGXSIPVMKYCI-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.28
Rot. Bonds6

About 2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane

2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane (PubChem CID 150795142) has the molecular formula C10H13F5O2 and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane
PubChem CID150795142
Molecular FormulaC10H13F5O2
Molecular Weight260.20 g/mol
Exact Mass260.08
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane
SMILESCC=COCCCC1(C(F)(F)C(F)(F)F)CO1
InChIInChI=1S/C10H13F5O2/c1-2-5-16-6-3-4-8(7-17-8)9(11,12)10(13,14)15/h2,5H,3-4,6-7H2,1H3
InChIKeyKERGXSIPVMKYCI-UHFFFAOYSA-N
XLogP3.28
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-Methylprop-1-enoxy)propyl]-2-(trifluoromethyl)oxirane
CID 149674619
2-Ethyl-2-(3-prop-1-enoxypropyl)oxirane
CID 152411902
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxirane
CID 176605297

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane (CID 150795142) is 2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane is CC=COCCCC1(C(F)(F)C(F)(F)F)CO1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane?
The InChIKey is KERGXSIPVMKYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5O2/c1-2-5-16-6-3-4-8(7-17-8)9(11,12)10(13,14)15/h2,5H,3-4,6-7H2,1H3.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane?
2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane has a molecular weight of 260.20 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)-2-(3-prop-1-enoxypropyl)oxirane is sourced from PubChem (CID 150795142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).