2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide

C7H13FN2O — CID 174468139

IUPAC2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide
SMILES[H]/N=C/[C@H](CC)NC(=O)C(C)F
InChIInChI=1S/C7H13FN2O/c1-3-6(4-9)10-7(11)5(2)8/h4-6,9H,3H2,1-2H3,(H,10,11)/b9-4+/t5?,6-/m0/s1
InChIKeyKDXWMCKNXKRSTI-CVKLGFNESA-N
MW160.19 g/mol
LogP0.89
Rot. Bonds4

About 2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide

2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide (PubChem CID 174468139) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide
PubChem CID174468139
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide
SMILES[H]/N=C/[C@H](CC)NC(=O)C(C)F
InChIInChI=1S/C7H13FN2O/c1-3-6(4-9)10-7(11)5(2)8/h4-6,9H,3H2,1-2H3,(H,10,11)/b9-4+/t5?,6-/m0/s1
InChIKeyKDXWMCKNXKRSTI-CVKLGFNESA-N
XLogP0.89
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide?
The IUPAC name of 2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide (CID 174468139) is 2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide?
The canonical SMILES for 2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide is [H]/N=C/[C@H](CC)NC(=O)C(C)F.
What is the InChIKey of 2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide?
The InChIKey is KDXWMCKNXKRSTI-CVKLGFNESA-N. The full InChI is InChI=1S/C7H13FN2O/c1-3-6(4-9)10-7(11)5(2)8/h4-6,9H,3H2,1-2H3,(H,10,11)/b9-4+/t5?,6-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide?
2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide has a molecular weight of 160.19 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S)-1-iminobutan-2-yl]propanamide is sourced from PubChem (CID 174468139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).