(2R,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine

C9H16FN — CID 178101252

IUPAC(2R,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine
SMILESCC[C@]1(C)C/C(=C/F)CN1C
InChIInChI=1S/C9H16FN/c1-4-9(2)5-8(6-10)7-11(9)3/h6H,4-5,7H2,1-3H3/b8-6-/t9-/m1/s1
InChIKeyBRVZEXZUFVIDIN-JGAIRUGNSA-N
MW157.23 g/mol
LogP2.34
Rot. Bonds1

About (2R,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine

(2R,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine (PubChem CID 178101252) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (2R,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine
PubChem CID178101252
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(2R,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine
SMILESCC[C@]1(C)C/C(=C/F)CN1C
InChIInChI=1S/C9H16FN/c1-4-9(2)5-8(6-10)7-11(9)3/h6H,4-5,7H2,1-3H3/b8-6-/t9-/m1/s1
InChIKeyBRVZEXZUFVIDIN-JGAIRUGNSA-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,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine?
The IUPAC name of (2R,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine (CID 178101252) is (2R,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine.
What is the SMILES notation for (2R,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine?
The canonical SMILES for (2R,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine is CC[C@]1(C)C/C(=C/F)CN1C.
What is the InChIKey of (2R,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine?
The InChIKey is BRVZEXZUFVIDIN-JGAIRUGNSA-N. The full InChI is InChI=1S/C9H16FN/c1-4-9(2)5-8(6-10)7-11(9)3/h6H,4-5,7H2,1-3H3/b8-6-/t9-/m1/s1.
What are the key properties of (2R,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine?
(2R,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine 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,4Z)-2-ethyl-4-(fluoromethylidene)-1,2-dimethylpyrrolidine is sourced from PubChem (CID 178101252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).