2-fluoro-3-methylbutan-1-amine;hydrochloride

C5H13ClFN — CID 105428310

IUPAC2-fluoro-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C(F)CN.Cl
InChIInChI=1S/C5H12FN.ClH/c1-4(2)5(6)3-7;/h4-5H,3,7H2,1-2H3;1H
InChIKeyBALSISBWUISBDA-UHFFFAOYSA-N
MW141.62 g/mol
LogP1.36
Rot. Bonds2

About 2-fluoro-3-methylbutan-1-amine;hydrochloride

2-fluoro-3-methylbutan-1-amine;hydrochloride (PubChem CID 105428310) has the molecular formula C5H13ClFN and a molecular weight of 141.62 g/mol. Its IUPAC name is 2-fluoro-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-fluoro-3-methylbutan-1-amine;hydrochloride
PubChem CID105428310
Molecular FormulaC5H13ClFN
Molecular Weight141.62 g/mol
Exact Mass141.07
IUPAC Name2-fluoro-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C(F)CN.Cl
InChIInChI=1S/C5H12FN.ClH/c1-4(2)5(6)3-7;/h4-5H,3,7H2,1-2H3;1H
InChIKeyBALSISBWUISBDA-UHFFFAOYSA-N
XLogP1.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.62
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of 2-fluoro-3-methylbutan-1-amine;hydrochloride (CID 105428310) is 2-fluoro-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for 2-fluoro-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for 2-fluoro-3-methylbutan-1-amine;hydrochloride is CC(C)C(F)CN.Cl.
What is the InChIKey of 2-fluoro-3-methylbutan-1-amine;hydrochloride?
The InChIKey is BALSISBWUISBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN.ClH/c1-4(2)5(6)3-7;/h4-5H,3,7H2,1-2H3;1H.
What are the key properties of 2-fluoro-3-methylbutan-1-amine;hydrochloride?
2-fluoro-3-methylbutan-1-amine;hydrochloride has a molecular weight of 141.62 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 105428310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).