N-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride

C11H21FN2O — CID 143082380

IUPACN-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride
SMILESCCCC(NC(=O)F)C1CCN(CC)C1
InChIInChI=1S/C11H21FN2O/c1-3-5-10(13-11(12)15)9-6-7-14(4-2)8-9/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKeyRFEBEYQDIVRFPN-UHFFFAOYSA-N
MW216.30 g/mol
LogP2.18
Rot. Bonds5

About N-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride

N-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride (PubChem CID 143082380) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is N-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride.

Molecular Properties

Compound NameN-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride
PubChem CID143082380
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC NameN-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride
SMILESCCCC(NC(=O)F)C1CCN(CC)C1
InChIInChI=1S/C11H21FN2O/c1-3-5-10(13-11(12)15)9-6-7-14(4-2)8-9/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKeyRFEBEYQDIVRFPN-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 118303120
1-(4-Fluoro-2-piperidin-4-ylpyrrolidin-1-yl)propan-1-one
CID 123574402
N-[(4S)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-yl]acetamide
CID 156289006
N-[(3S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide
CID 163271561
N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]-2-methylpropanamide
CID 163271930
N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide
CID 163271938
N-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide
CID 167035154
N-[1-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]acetamide
CID 167035161
N-[(3R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide
CID 167386347
N-[(3R)-1-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide
CID 167386358
N-[(3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide
CID 167386460
N-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentan-3-yl]-2-methylpropanamide
CID 167386464

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride?
The IUPAC name of N-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride (CID 143082380) is N-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride.
What is the SMILES notation for N-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride?
The canonical SMILES for N-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride is CCCC(NC(=O)F)C1CCN(CC)C1.
What is the InChIKey of N-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride?
The InChIKey is RFEBEYQDIVRFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-3-5-10(13-11(12)15)9-6-7-14(4-2)8-9/h9-10H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride?
N-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride has a molecular weight of 216.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrrolidin-3-yl)butyl]carbamoyl fluoride is sourced from PubChem (CID 143082380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).