4-aminobutyl hypofluorite

C4H10FNO — CID 166698414

IUPAC4-aminobutyl hypofluorite
SMILESNCCCCOF
InChIInChI=1S/C4H10FNO/c5-7-4-2-1-3-6/h1-4,6H2
InChIKeyWQVWHPGQYDRCCO-UHFFFAOYSA-N
MW107.13 g/mol
LogP0.63
Rot. Bonds4

About 4-aminobutyl hypofluorite

4-aminobutyl hypofluorite (PubChem CID 166698414) has the molecular formula C4H10FNO and a molecular weight of 107.13 g/mol. Its IUPAC name is 4-aminobutyl hypofluorite.

Molecular Properties

Compound Name4-aminobutyl hypofluorite
PubChem CID166698414
Molecular FormulaC4H10FNO
Molecular Weight107.13 g/mol
Exact Mass107.07
IUPAC Name4-aminobutyl hypofluorite
SMILESNCCCCOF
InChIInChI=1S/C4H10FNO/c5-7-4-2-1-3-6/h1-4,6H2
InChIKeyWQVWHPGQYDRCCO-UHFFFAOYSA-N
XLogP0.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxybutan-1-amine
CID 533909
1-Aminooxy-4-aminobutane
CID 166080
4-Ethoxybutan-1-amine
CID 10441690
4-Silyloxybutan-1-amine
CID 123693371
O-(4-amino-2-fluorobutyl)hydroxylamine
CID 21694597
1-Aminobutyl hypofluorite
CID 57255886
4-(Trifluoromethoxy)butan-1-amine
CID 75406291
(3S)-3-fluoro-4-methoxybutan-1-amine
CID 134463015
4-(Difluoromethoxy)butan-1-amine
CID 84716194
4-Ethoxy-3-fluorobutan-1-amine
CID 104277202
3-Fluoro-4-methoxybutan-1-amine
CID 104277206
2-Fluoro-4-methoxybutan-1-amine
CID 105427204

Frequently Asked Questions

What is the IUPAC name of 4-aminobutyl hypofluorite?
The IUPAC name of 4-aminobutyl hypofluorite (CID 166698414) is 4-aminobutyl hypofluorite.
What is the SMILES notation for 4-aminobutyl hypofluorite?
The canonical SMILES for 4-aminobutyl hypofluorite is NCCCCOF.
What is the InChIKey of 4-aminobutyl hypofluorite?
The InChIKey is WQVWHPGQYDRCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO/c5-7-4-2-1-3-6/h1-4,6H2.
What are the key properties of 4-aminobutyl hypofluorite?
4-aminobutyl hypofluorite has a molecular weight of 107.13 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutyl hypofluorite is sourced from PubChem (CID 166698414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).