methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate

C12H20F4NO2- — CID 54333395

IUPACmethylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate
SMILESCC1CCCC1.[O-]C(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C6H8F4NO2.C6H12/c7-5(8,6(9,10)12)11-1-3-13-4-2-11;1-6-4-2-3-5-6/h1-4H2;6H,2-5H2,1H3/q-1;
InChIKeySZXJZUWBJKSHKN-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.06
Rot. Bonds2

About methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate

methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate (PubChem CID 54333395) has the molecular formula C12H20F4NO2- and a molecular weight of 286.29 g/mol. Its IUPAC name is methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate.

Molecular Properties

Compound Namemethylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate
PubChem CID54333395
Molecular FormulaC12H20F4NO2-
Molecular Weight286.29 g/mol
Exact Mass286.14
IUPAC Namemethylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate
SMILESCC1CCCC1.[O-]C(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C6H8F4NO2.C6H12/c7-5(8,6(9,10)12)11-1-3-13-4-2-11;1-6-4-2-3-5-6/h1-4H2;6H,2-5H2,1H3/q-1;
InChIKeySZXJZUWBJKSHKN-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate?
The IUPAC name of methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate (CID 54333395) is methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate.
What is the SMILES notation for methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate?
The canonical SMILES for methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate is CC1CCCC1.[O-]C(F)(F)C(F)(F)N1CCOCC1.
What is the InChIKey of methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate?
The InChIKey is SZXJZUWBJKSHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4NO2.C6H12/c7-5(8,6(9,10)12)11-1-3-13-4-2-11;1-6-4-2-3-5-6/h1-4H2;6H,2-5H2,1H3/q-1;.
What are the key properties of methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate?
methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate has a molecular weight of 286.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate is sourced from PubChem (CID 54333395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).