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

C10H18FNO — CID 166984384

IUPAC(4Z)-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-UITAMQMPSA-N
MW187.26 g/mol
LogP1.97
Rot. Bonds3

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

(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 166984384) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID166984384
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(4Z)-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-UITAMQMPSA-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 (4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 166984384) is (4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OCC1C/C(=C/F)CN1C.
What is the InChIKey of (4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is ITHIZOMFRVLFFR-UITAMQMPSA-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 (4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
(4Z)-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 (4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 166984384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).