N-ethyl-4-fluoropyrrolidine-2-carboxamide

C7H13FN2O — CID 23120691

IUPACN-ethyl-4-fluoropyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(F)CN1
InChIInChI=1S/C7H13FN2O/c1-2-9-7(11)6-3-5(8)4-10-6/h5-6,10H,2-4H2,1H3,(H,9,11)
InChIKeySNHQWNMWMXDRMR-UHFFFAOYSA-N
MW160.19 g/mol
LogP-0.18
Rot. Bonds2

About N-ethyl-4-fluoropyrrolidine-2-carboxamide

N-ethyl-4-fluoropyrrolidine-2-carboxamide (PubChem CID 23120691) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is N-ethyl-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-fluoropyrrolidine-2-carboxamide
PubChem CID23120691
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC NameN-ethyl-4-fluoropyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(F)CN1
InChIInChI=1S/C7H13FN2O/c1-2-9-7(11)6-3-5(8)4-10-6/h5-6,10H,2-4H2,1H3,(H,9,11)
InChIKeySNHQWNMWMXDRMR-UHFFFAOYSA-N
XLogP-0.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-4-fluoropyrrolidine-2-carboxamide (CID 23120691) is N-ethyl-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-4-fluoropyrrolidine-2-carboxamide is CCNC(=O)C1CC(F)CN1.
What is the InChIKey of N-ethyl-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is SNHQWNMWMXDRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-2-9-7(11)6-3-5(8)4-10-6/h5-6,10H,2-4H2,1H3,(H,9,11).
What are the key properties of N-ethyl-4-fluoropyrrolidine-2-carboxamide?
N-ethyl-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 160.19 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 23120691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).