(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

C10H18FNO — CID 163575204

IUPAC(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1C/C(=C\F)CN1C
InChIInChI=1S/C10H18FNO/c1-8(2)13-7-10-4-9(5-11)6-12(10)3/h5,8,10H,4,6-7H2,1-3H3/b9-5+
InChIKeyITHIZOMFRVLFFR-WEVVVXLNSA-N
MW187.26 g/mol
LogP1.97
Rot. Bonds3

About (4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 163575204) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID163575204
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1C/C(=C\F)CN1C
InChIInChI=1S/C10H18FNO/c1-8(2)13-7-10-4-9(5-11)6-12(10)3/h5,8,10H,4,6-7H2,1-3H3/b9-5+
InChIKeyITHIZOMFRVLFFR-WEVVVXLNSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 163575204) is (4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OCC1C/C(=C\F)CN1C.
What is the InChIKey of (4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is ITHIZOMFRVLFFR-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8(2)13-7-10-4-9(5-11)6-12(10)3/h5,8,10H,4,6-7H2,1-3H3/b9-5+.
What are the key properties of (4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 187.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 163575204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).