fluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium

C10H20FN2O2+ — CID 170721391

IUPACfluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium
SMILESC[N+](C)(CF)CCOC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H20FN2O2/c1-13(2,8-11)6-7-15-10(14)9-4-3-5-12-9/h9,12H,3-8H2,1-2H3/q+1/t9-/m0/s1
InChIKeyYJZSIKILRPZPPF-VIFPVBQESA-N
MW219.28 g/mol
LogP0.28
Rot. Bonds5

About fluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium

fluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium (PubChem CID 170721391) has the molecular formula C10H20FN2O2+ and a molecular weight of 219.28 g/mol. Its IUPAC name is fluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium.

Molecular Properties

Compound Namefluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium
PubChem CID170721391
Molecular FormulaC10H20FN2O2+
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Namefluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium
SMILESC[N+](C)(CF)CCOC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H20FN2O2/c1-13(2,8-11)6-7-15-10(14)9-4-3-5-12-9/h9,12H,3-8H2,1-2H3/q+1/t9-/m0/s1
InChIKeyYJZSIKILRPZPPF-VIFPVBQESA-N
XLogP0.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium?
The IUPAC name of fluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium (CID 170721391) is fluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium.
What is the SMILES notation for fluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium?
The canonical SMILES for fluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium is C[N+](C)(CF)CCOC(=O)[C@@H]1CCCN1.
What is the InChIKey of fluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium?
The InChIKey is YJZSIKILRPZPPF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20FN2O2/c1-13(2,8-11)6-7-15-10(14)9-4-3-5-12-9/h9,12H,3-8H2,1-2H3/q+1/t9-/m0/s1.
What are the key properties of fluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium?
fluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium has a molecular weight of 219.28 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl-dimethyl-[2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]azanium is sourced from PubChem (CID 170721391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).