N-(fluoromethyl)pyrrolidine-2-carboxamide

C6H11FN2O — CID 123273673

IUPACN-(fluoromethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCF)C1CCCN1
InChIInChI=1S/C6H11FN2O/c7-4-9-6(10)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,10)
InChIKeyYUGAIQUIFXUDRI-UHFFFAOYSA-N
MW146.16 g/mol
LogP-0.22
Rot. Bonds2

About N-(fluoromethyl)pyrrolidine-2-carboxamide

N-(fluoromethyl)pyrrolidine-2-carboxamide (PubChem CID 123273673) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is N-(fluoromethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(fluoromethyl)pyrrolidine-2-carboxamide
PubChem CID123273673
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC NameN-(fluoromethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCF)C1CCCN1
InChIInChI=1S/C6H11FN2O/c7-4-9-6(10)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,10)
InChIKeyYUGAIQUIFXUDRI-UHFFFAOYSA-N
XLogP-0.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 18324145
[[(2S)-pyrrolidine-2-carbonyl]amino]methylboronic acid
CID 74765706
N-propylpyrrolidine-2-carboxamide
CID 4984185
(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 106176647
(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 10419946
(2S)-N-[2-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyldisulfanyl]ethyl]pyrrolidine-2-carboxamide
CID 11725207
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 112703892
N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide
CID 66188372
(2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
CID 103795786
N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
CID 79046602

Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(fluoromethyl)pyrrolidine-2-carboxamide (CID 123273673) is N-(fluoromethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(fluoromethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(fluoromethyl)pyrrolidine-2-carboxamide is O=C(NCF)C1CCCN1.
What is the InChIKey of N-(fluoromethyl)pyrrolidine-2-carboxamide?
The InChIKey is YUGAIQUIFXUDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O/c7-4-9-6(10)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,10).
What are the key properties of N-(fluoromethyl)pyrrolidine-2-carboxamide?
N-(fluoromethyl)pyrrolidine-2-carboxamide has a molecular weight of 146.16 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123273673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).