1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene

C14H13F5O2 — CID 19387051

IUPAC1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene
SMILESCC1(C)Oc2ccc(C(F)(F)C(F)(F)F)cc2C2OC21C
InChIInChI=1S/C14H13F5O2/c1-11(2)12(3)10(21-12)8-6-7(4-5-9(8)20-11)13(15,16)14(17,18)19/h4-6,10H,1-3H3
InChIKeyUTMSSTHWHGPNLT-UHFFFAOYSA-N
MW308.25 g/mol
LogP4.34
Rot. Bonds1

About 1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene

1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene (PubChem CID 19387051) has the molecular formula C14H13F5O2 and a molecular weight of 308.25 g/mol. Its IUPAC name is 1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene.

Molecular Properties

Compound Name1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene
PubChem CID19387051
Molecular FormulaC14H13F5O2
Molecular Weight308.25 g/mol
Exact Mass308.08
IUPAC Name1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene
SMILESCC1(C)Oc2ccc(C(F)(F)C(F)(F)F)cc2C2OC21C
InChIInChI=1S/C14H13F5O2/c1-11(2)12(3)10(21-12)8-6-7(4-5-9(8)20-11)13(15,16)14(17,18)19/h4-6,10H,1-3H3
InChIKeyUTMSSTHWHGPNLT-UHFFFAOYSA-N
XLogP4.34
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene?
The IUPAC name of 1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene (CID 19387051) is 1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene.
What is the SMILES notation for 1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene?
The canonical SMILES for 1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene is CC1(C)Oc2ccc(C(F)(F)C(F)(F)F)cc2C2OC21C.
What is the InChIKey of 1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene?
The InChIKey is UTMSSTHWHGPNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5O2/c1-11(2)12(3)10(21-12)8-6-7(4-5-9(8)20-11)13(15,16)14(17,18)19/h4-6,10H,1-3H3.
What are the key properties of 1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene?
1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene has a molecular weight of 308.25 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,2-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)-7bH-oxireno[2,3-c]chromene is sourced from PubChem (CID 19387051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).