4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite

C10H22FNO2 — CID 156884749

IUPAC4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite
SMILESCCN(CCCCOF)CCCOC
InChIInChI=1S/C10H22FNO2/c1-3-12(8-6-9-13-2)7-4-5-10-14-11/h3-10H2,1-2H3
InChIKeyXGQHVVBJMVXTIJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.03
Rot. Bonds10

About 4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite

4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite (PubChem CID 156884749) has the molecular formula C10H22FNO2 and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite.

Molecular Properties

Compound Name4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite
PubChem CID156884749
Molecular FormulaC10H22FNO2
Molecular Weight207.29 g/mol
Exact Mass207.16
IUPAC Name4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite
SMILESCCN(CCCCOF)CCCOC
InChIInChI=1S/C10H22FNO2/c1-3-12(8-6-9-13-2)7-4-5-10-14-11/h3-10H2,1-2H3
InChIKeyXGQHVVBJMVXTIJ-UHFFFAOYSA-N
XLogP2.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[Bis(4-methoxybutyl)amino] thiohypofluorite
CID 146270220
3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine
CID 155307656
N-methyl-N-propyl-4-(trifluoromethoxy)butan-1-amine
CID 172334564
N,N-dibutyl-4-methoxybutan-1-amine
CID 265279
4-Diethylaminobutyloxy hydrochloride
CID 129782873
Triethyl(4-methoxybutyl)azanium
CID 20728503
Diethyl-bis(4-methoxybutyl)azanium
CID 21932115
3-methoxy-N,N-bis(3-methoxypropyl)propan-1-amine
CID 21988004
Dibutyl-bis(1-methoxyethyl)azanium
CID 22415993
Butyl-ethyl-bis(1-methoxyethyl)azanium
CID 22415999
4-ethoxy-N,N-dimethylbutan-1-amine
CID 53734840
N,N-diethyl-4-methoxybutan-1-amine
CID 54000459

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite?
The IUPAC name of 4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite (CID 156884749) is 4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite.
What is the SMILES notation for 4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite?
The canonical SMILES for 4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite is CCN(CCCCOF)CCCOC.
What is the InChIKey of 4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite?
The InChIKey is XGQHVVBJMVXTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2/c1-3-12(8-6-9-13-2)7-4-5-10-14-11/h3-10H2,1-2H3.
What are the key properties of 4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite?
4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite has a molecular weight of 207.29 g/mol, XLogP of 2.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(3-methoxypropyl)amino]butyl hypofluorite is sourced from PubChem (CID 156884749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).