1-aminobutyl hypofluorite

C4H10FNO — CID 57255886

IUPAC1-aminobutyl hypofluorite
SMILESCCCC(N)OF
InChIInChI=1S/C4H10FNO/c1-2-3-4(6)7-5/h4H,2-3,6H2,1H3
InChIKeyYIGLKHFIULCQFH-UHFFFAOYSA-N
MW107.13 g/mol
LogP0.97
Rot. Bonds3

About 1-aminobutyl hypofluorite

1-aminobutyl hypofluorite (PubChem CID 57255886) has the molecular formula C4H10FNO and a molecular weight of 107.13 g/mol. Its IUPAC name is 1-aminobutyl hypofluorite.

Molecular Properties

Compound Name1-aminobutyl hypofluorite
PubChem CID57255886
Molecular FormulaC4H10FNO
Molecular Weight107.13 g/mol
Exact Mass107.07
IUPAC Name1-aminobutyl hypofluorite
SMILESCCCC(N)OF
InChIInChI=1S/C4H10FNO/c1-2-3-4(6)7-5/h4H,2-3,6H2,1H3
InChIKeyYIGLKHFIULCQFH-UHFFFAOYSA-N
XLogP0.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-aminobutyl hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxybutan-1-amine
CID 533909
1-Methoxypropan-1-amine
CID 14619209
N-fluoro-1-methoxypropan-1-amine
CID 21657420
1-Aminopropyl hypofluorite
CID 57256793
(3S)-3-fluoro-4-methoxybutan-1-amine
CID 134463015
1-(Trifluoromethoxy)butan-1-amine
CID 158341195
4-Aminobutyl hypofluorite
CID 166698414
(2R)-2-fluoro-1-methoxypropan-1-amine
CID 173239692
3-Fluoro-4-methoxybutan-1-amine
CID 104277206
2-Fluoro-4-methoxybutan-1-amine
CID 105427204
(2R)-2-fluoro-4-methoxybutan-1-amine
CID 129462315
(2S)-2-fluoro-4-methoxybutan-1-amine
CID 129462316

Frequently Asked Questions

What is the IUPAC name of 1-aminobutyl hypofluorite?
The IUPAC name of 1-aminobutyl hypofluorite (CID 57255886) is 1-aminobutyl hypofluorite.
What is the SMILES notation for 1-aminobutyl hypofluorite?
The canonical SMILES for 1-aminobutyl hypofluorite is CCCC(N)OF.
What is the InChIKey of 1-aminobutyl hypofluorite?
The InChIKey is YIGLKHFIULCQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO/c1-2-3-4(6)7-5/h4H,2-3,6H2,1H3.
What are the key properties of 1-aminobutyl hypofluorite?
1-aminobutyl hypofluorite has a molecular weight of 107.13 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminobutyl hypofluorite is sourced from PubChem (CID 57255886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).