(2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine

C11H15F2N — CID 142034242

IUPAC(2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine
SMILESC=C/C=C1C(=C/C)\CC(C(F)F)N\1C
InChIInChI=1S/C11H15F2N/c1-4-6-9-8(5-2)7-10(11(12)13)14(9)3/h4-6,10-11H,1,7H2,2-3H3/b8-5-,9-6+
InChIKeyBXODBNMOCNWJFY-LDFAFZTOSA-N
MW199.24 g/mol
LogP2.97
Rot. Bonds2

About (2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine

(2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine (PubChem CID 142034242) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is (2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine.

Molecular Properties

Compound Name(2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine
PubChem CID142034242
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name(2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine
SMILESC=C/C=C1C(=C/C)\CC(C(F)F)N\1C
InChIInChI=1S/C11H15F2N/c1-4-6-9-8(5-2)7-10(11(12)13)14(9)3/h4-6,10-11H,1,7H2,2-3H3/b8-5-,9-6+
InChIKeyBXODBNMOCNWJFY-LDFAFZTOSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine?
The IUPAC name of (2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine (CID 142034242) is (2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine.
What is the SMILES notation for (2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine?
The canonical SMILES for (2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine is C=C/C=C1C(=C/C)\CC(C(F)F)N\1C.
What is the InChIKey of (2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine?
The InChIKey is BXODBNMOCNWJFY-LDFAFZTOSA-N. The full InChI is InChI=1S/C11H15F2N/c1-4-6-9-8(5-2)7-10(11(12)13)14(9)3/h4-6,10-11H,1,7H2,2-3H3/b8-5-,9-6+.
What are the key properties of (2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine?
(2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine has a molecular weight of 199.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine is sourced from PubChem (CID 142034242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).