N-fluoro-3-methoxy-N-methylpropan-1-amine

C5H12FNO — CID 178047493

IUPACN-fluoro-3-methoxy-N-methylpropan-1-amine
SMILESCOCCCN(C)F
InChIInChI=1S/C5H12FNO/c1-7(6)4-3-5-8-2/h3-5H2,1-2H3
InChIKeySTIKIHXERWLRQZ-UHFFFAOYSA-N
MW121.16 g/mol
LogP0.84
Rot. Bonds4

About N-fluoro-3-methoxy-N-methylpropan-1-amine

N-fluoro-3-methoxy-N-methylpropan-1-amine (PubChem CID 178047493) has the molecular formula C5H12FNO and a molecular weight of 121.16 g/mol. Its IUPAC name is N-fluoro-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-fluoro-3-methoxy-N-methylpropan-1-amine
PubChem CID178047493
Molecular FormulaC5H12FNO
Molecular Weight121.16 g/mol
Exact Mass121.09
IUPAC NameN-fluoro-3-methoxy-N-methylpropan-1-amine
SMILESCOCCCN(C)F
InChIInChI=1S/C5H12FNO/c1-7(6)4-3-5-8-2/h3-5H2,1-2H3
InChIKeySTIKIHXERWLRQZ-UHFFFAOYSA-N
XLogP0.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N,N-dimethylpropan-1-amine
CID 547431
1-methoxy-N,N-dimethylpropan-1-amine
CID 22062441
N-fluoro-3-methoxy-N-methylbutan-1-amine
CID 141837736
3-ethoxy-N-ethyl-N-fluoropropan-1-amine
CID 153753202
3-ethoxy-N-fluoro-N-methylpropan-1-amine
CID 154509635
N-ethyl-N-fluoro-3-methoxypropan-1-amine
CID 154513537
Fluoromethyl-(3-methoxypropyl)-dimethylazanium
CID 176706226
Methyl-[3-(trifluoromethoxy)propyl]azanide
CID 155624874
3-butoxy-N-fluoro-N-methylpropan-1-amine
CID 156795466
3-Methoxypropyl(trimethyl)azanium
CID 12545982
CID 59347745
CID 59347745
(1R)-1-methoxy-N,N-dimethylpropan-1-amine
CID 89703973

Frequently Asked Questions

What is the IUPAC name of N-fluoro-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of N-fluoro-3-methoxy-N-methylpropan-1-amine (CID 178047493) is N-fluoro-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-fluoro-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for N-fluoro-3-methoxy-N-methylpropan-1-amine is COCCCN(C)F.
What is the InChIKey of N-fluoro-3-methoxy-N-methylpropan-1-amine?
The InChIKey is STIKIHXERWLRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-7(6)4-3-5-8-2/h3-5H2,1-2H3.
What are the key properties of N-fluoro-3-methoxy-N-methylpropan-1-amine?
N-fluoro-3-methoxy-N-methylpropan-1-amine has a molecular weight of 121.16 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 178047493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).