N-fluoro-3-methylbutan-2-amine

C5H12FN — CID 131992470

IUPACN-fluoro-3-methylbutan-2-amine
SMILESCC(C)C(C)NF
InChIInChI=1S/C5H12FN/c1-4(2)5(3)7-6/h4-5,7H,1-3H3
InChIKeySLWZERBQRBUIBD-UHFFFAOYSA-N
MW105.16 g/mol
LogP1.50
Rot. Bonds2

About N-fluoro-3-methylbutan-2-amine

N-fluoro-3-methylbutan-2-amine (PubChem CID 131992470) has the molecular formula C5H12FN and a molecular weight of 105.16 g/mol. Its IUPAC name is N-fluoro-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-fluoro-3-methylbutan-2-amine
PubChem CID131992470
Molecular FormulaC5H12FN
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC NameN-fluoro-3-methylbutan-2-amine
SMILESCC(C)C(C)NF
InChIInChI=1S/C5H12FN/c1-4(2)5(3)7-6/h4-5,7H,1-3H3
InChIKeySLWZERBQRBUIBD-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-3-methylbutan-2-amine?
The IUPAC name of N-fluoro-3-methylbutan-2-amine (CID 131992470) is N-fluoro-3-methylbutan-2-amine.
What is the SMILES notation for N-fluoro-3-methylbutan-2-amine?
The canonical SMILES for N-fluoro-3-methylbutan-2-amine is CC(C)C(C)NF.
What is the InChIKey of N-fluoro-3-methylbutan-2-amine?
The InChIKey is SLWZERBQRBUIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN/c1-4(2)5(3)7-6/h4-5,7H,1-3H3.
What are the key properties of N-fluoro-3-methylbutan-2-amine?
N-fluoro-3-methylbutan-2-amine has a molecular weight of 105.16 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-3-methylbutan-2-amine is sourced from PubChem (CID 131992470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).