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

C7H18FNO — CID 178047492

IUPACethane;N-fluoro-3-methoxy-N-methylpropan-1-amine
SMILESCC.COCCCN(C)F
InChIInChI=1S/C5H12FNO.C2H6/c1-7(6)4-3-5-8-2;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyFNPHFSIPDDOBFX-UHFFFAOYSA-N
MW151.22 g/mol
LogP1.87
Rot. Bonds4

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

ethane;N-fluoro-3-methoxy-N-methylpropan-1-amine (PubChem CID 178047492) has the molecular formula C7H18FNO and a molecular weight of 151.22 g/mol. Its IUPAC name is ethane;N-fluoro-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Nameethane;N-fluoro-3-methoxy-N-methylpropan-1-amine
PubChem CID178047492
Molecular FormulaC7H18FNO
Molecular Weight151.22 g/mol
Exact Mass151.14
IUPAC Nameethane;N-fluoro-3-methoxy-N-methylpropan-1-amine
SMILESCC.COCCCN(C)F
InChIInChI=1S/C5H12FNO.C2H6/c1-7(6)4-3-5-8-2;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyFNPHFSIPDDOBFX-UHFFFAOYSA-N
XLogP1.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.22
LogP ≤ 51.87
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
3-Ethoxy-N,N-dimethylpropylamine
CID 91374
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
Trimethyl-methoxypropanyl-ammonium-bromide
CID 129704811
3-butoxy-N-fluoro-N-methylpropan-1-amine
CID 156795466
3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine
CID 156860918
N-fluoro-3-methoxy-N-methylpropan-1-amine
CID 178047493
3-Methoxypropyl(trimethyl)azanium
CID 12545982

Frequently Asked Questions

What is the IUPAC name of ethane;N-fluoro-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of ethane;N-fluoro-3-methoxy-N-methylpropan-1-amine (CID 178047492) is ethane;N-fluoro-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for ethane;N-fluoro-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for ethane;N-fluoro-3-methoxy-N-methylpropan-1-amine is CC.COCCCN(C)F.
What is the InChIKey of ethane;N-fluoro-3-methoxy-N-methylpropan-1-amine?
The InChIKey is FNPHFSIPDDOBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO.C2H6/c1-7(6)4-3-5-8-2;1-2/h3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;N-fluoro-3-methoxy-N-methylpropan-1-amine?
ethane;N-fluoro-3-methoxy-N-methylpropan-1-amine has a molecular weight of 151.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-fluoro-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 178047492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).