(2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine

C9H16FN — CID 178087783

IUPAC(2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1C/C(=C/F)C[C@H]1C
InChIInChI=1S/C9H16FN/c1-7(2)11-6-9(5-10)4-8(11)3/h5,7-8H,4,6H2,1-3H3/b9-5+/t8-/m1/s1
InChIKeyJQTIJLWAMTXNGJ-CBVZUMJXSA-N
MW157.23 g/mol
LogP2.34
Rot. Bonds1

About (2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine

(2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine (PubChem CID 178087783) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine
PubChem CID178087783
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1C/C(=C/F)C[C@H]1C
InChIInChI=1S/C9H16FN/c1-7(2)11-6-9(5-10)4-8(11)3/h5,7-8H,4,6H2,1-3H3/b9-5+/t8-/m1/s1
InChIKeyJQTIJLWAMTXNGJ-CBVZUMJXSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of (2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine (CID 178087783) is (2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for (2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine is CC(C)N1C/C(=C/F)C[C@H]1C.
What is the InChIKey of (2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is JQTIJLWAMTXNGJ-CBVZUMJXSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(2)11-6-9(5-10)4-8(11)3/h5,7-8H,4,6H2,1-3H3/b9-5+/t8-/m1/s1.
What are the key properties of (2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine?
(2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 157.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 178087783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).