2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine

C9H20FNO — CID 112566785

IUPAC2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine
SMILESCCCOCC(F)(CN)C(C)C
InChIInChI=1S/C9H20FNO/c1-4-5-12-7-9(10,6-11)8(2)3/h8H,4-7,11H2,1-3H3
InChIKeySVOLALXVGATWBQ-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.74
Rot. Bonds6

About 2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine

2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine (PubChem CID 112566785) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine
PubChem CID112566785
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine
SMILESCCCOCC(F)(CN)C(C)C
InChIInChI=1S/C9H20FNO/c1-4-5-12-7-9(10,6-11)8(2)3/h8H,4-7,11H2,1-3H3
InChIKeySVOLALXVGATWBQ-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.74
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine (CID 112566785) is 2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine is CCCOCC(F)(CN)C(C)C.
What is the InChIKey of 2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine?
The InChIKey is SVOLALXVGATWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-4-5-12-7-9(10,6-11)8(2)3/h8H,4-7,11H2,1-3H3.
What are the key properties of 2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine?
2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine has a molecular weight of 177.26 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-(propoxymethyl)butan-1-amine is sourced from PubChem (CID 112566785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).