2-(fluoromethylamino)butanal

C5H10FNO — CID 174927053

IUPAC2-(fluoromethylamino)butanal
SMILESCCC(C=O)NCF
InChIInChI=1S/C5H10FNO/c1-2-5(3-8)7-4-6/h3,5,7H,2,4H2,1H3
InChIKeyYOIBEBQXRVVCOM-UHFFFAOYSA-N
MW119.14 g/mol
LogP0.48
Rot. Bonds4

About 2-(fluoromethylamino)butanal

2-(fluoromethylamino)butanal (PubChem CID 174927053) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is 2-(fluoromethylamino)butanal.

Molecular Properties

Compound Name2-(fluoromethylamino)butanal
PubChem CID174927053
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC Name2-(fluoromethylamino)butanal
SMILESCCC(C=O)NCF
InChIInChI=1S/C5H10FNO/c1-2-5(3-8)7-4-6/h3,5,7H,2,4H2,1H3
InChIKeyYOIBEBQXRVVCOM-UHFFFAOYSA-N
XLogP0.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylamino)butanal?
The IUPAC name of 2-(fluoromethylamino)butanal (CID 174927053) is 2-(fluoromethylamino)butanal.
What is the SMILES notation for 2-(fluoromethylamino)butanal?
The canonical SMILES for 2-(fluoromethylamino)butanal is CCC(C=O)NCF.
What is the InChIKey of 2-(fluoromethylamino)butanal?
The InChIKey is YOIBEBQXRVVCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO/c1-2-5(3-8)7-4-6/h3,5,7H,2,4H2,1H3.
What are the key properties of 2-(fluoromethylamino)butanal?
2-(fluoromethylamino)butanal has a molecular weight of 119.14 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylamino)butanal is sourced from PubChem (CID 174927053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).