(2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide

C7H13FN2O — CID 45115932

IUPAC(2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CC(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)/t5?,6-/m0/s1
InChIKeySNHQWNMWMXDRMR-GDVGLLTNSA-N
MW160.19 g/mol
LogP-0.18
Rot. Bonds2

About (2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide

(2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide (PubChem CID 45115932) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide
PubChem CID45115932
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CC(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)/t5?,6-/m0/s1
InChIKeySNHQWNMWMXDRMR-GDVGLLTNSA-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 (2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide (CID 45115932) is (2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1CC(F)CN1.
What is the InChIKey of (2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is SNHQWNMWMXDRMR-GDVGLLTNSA-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)/t5?,6-/m0/s1.
What are the key properties of (2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide?
(2S)-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 (2S)-N-ethyl-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 45115932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).