(2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine

C11H20FNO — CID 166984253

IUPAC(2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine
SMILESC/C=C1\CCC(COC)N1CCCF
InChIInChI=1S/C11H20FNO/c1-3-10-5-6-11(9-14-2)13(10)8-4-7-12/h3,11H,4-9H2,1-2H3/b10-3+
InChIKeyDRCJKTPSWRIKPO-XCVCLJGOSA-N
MW201.28 g/mol
LogP2.36
Rot. Bonds5

About (2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine

(2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine (PubChem CID 166984253) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine
PubChem CID166984253
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine
SMILESC/C=C1\CCC(COC)N1CCCF
InChIInChI=1S/C11H20FNO/c1-3-10-5-6-11(9-14-2)13(10)8-4-7-12/h3,11H,4-9H2,1-2H3/b10-3+
InChIKeyDRCJKTPSWRIKPO-XCVCLJGOSA-N
XLogP2.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine?
The IUPAC name of (2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine (CID 166984253) is (2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine is C/C=C1\CCC(COC)N1CCCF.
What is the InChIKey of (2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine?
The InChIKey is DRCJKTPSWRIKPO-XCVCLJGOSA-N. The full InChI is InChI=1S/C11H20FNO/c1-3-10-5-6-11(9-14-2)13(10)8-4-7-12/h3,11H,4-9H2,1-2H3/b10-3+.
What are the key properties of (2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine?
(2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine has a molecular weight of 201.28 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 166984253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).