(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine

C10H18FN — CID 176919337

IUPAC(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine
SMILESCCC[C@@]1(C)C/C(=C/F)CN1C
InChIInChI=1S/C10H18FN/c1-4-5-10(2)6-9(7-11)8-12(10)3/h7H,4-6,8H2,1-3H3/b9-7-/t10-/m0/s1
InChIKeyIPJJKPHPSMFIIO-RNKPRXRFSA-N
MW171.26 g/mol
LogP2.73
Rot. Bonds2

About (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine

(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine (PubChem CID 176919337) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine.

Molecular Properties

Compound Name(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine
PubChem CID176919337
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine
SMILESCCC[C@@]1(C)C/C(=C/F)CN1C
InChIInChI=1S/C10H18FN/c1-4-5-10(2)6-9(7-11)8-12(10)3/h7H,4-6,8H2,1-3H3/b9-7-/t10-/m0/s1
InChIKeyIPJJKPHPSMFIIO-RNKPRXRFSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine?
The IUPAC name of (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine (CID 176919337) is (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine.
What is the SMILES notation for (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine?
The canonical SMILES for (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine is CCC[C@@]1(C)C/C(=C/F)CN1C.
What is the InChIKey of (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine?
The InChIKey is IPJJKPHPSMFIIO-RNKPRXRFSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-5-10(2)6-9(7-11)8-12(10)3/h7H,4-6,8H2,1-3H3/b9-7-/t10-/m0/s1.
What are the key properties of (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine?
(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine has a molecular weight of 171.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine is sourced from PubChem (CID 176919337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).