(5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine

C9H11F2NO — CID 142839542

IUPAC(5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine
SMILESC=C1NC(F)(F)O/C1=C/C(C)=C\C
InChIInChI=1S/C9H11F2NO/c1-4-6(2)5-8-7(3)12-9(10,11)13-8/h4-5,12H,3H2,1-2H3/b6-4-,8-5+
InChIKeyKZWRJVUWQRXESP-QXMOYCCXSA-N
MW187.19 g/mol
LogP2.52
Rot. Bonds1

About (5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine

(5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine (PubChem CID 142839542) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is (5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine.

Molecular Properties

Compound Name(5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine
PubChem CID142839542
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine
SMILESC=C1NC(F)(F)O/C1=C/C(C)=C\C
InChIInChI=1S/C9H11F2NO/c1-4-6(2)5-8-7(3)12-9(10,11)13-8/h4-5,12H,3H2,1-2H3/b6-4-,8-5+
InChIKeyKZWRJVUWQRXESP-QXMOYCCXSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidine
CID 162723403

Frequently Asked Questions

What is the IUPAC name of (5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine?
The IUPAC name of (5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine (CID 142839542) is (5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine.
What is the SMILES notation for (5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine?
The canonical SMILES for (5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine is C=C1NC(F)(F)O/C1=C/C(C)=C\C.
What is the InChIKey of (5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine?
The InChIKey is KZWRJVUWQRXESP-QXMOYCCXSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-4-6(2)5-8-7(3)12-9(10,11)13-8/h4-5,12H,3H2,1-2H3/b6-4-,8-5+.
What are the key properties of (5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine?
(5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine has a molecular weight of 187.19 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,2-difluoro-5-[(Z)-2-methylbut-2-enylidene]-4-methylidene-1,3-oxazolidine is sourced from PubChem (CID 142839542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).