2-fluorobutan-1-amine;hydrochloride

C4H11ClFN — CID 71755419

IUPAC2-fluorobutan-1-amine;hydrochloride
SMILESCCC(F)CN.Cl
InChIInChI=1S/C4H10FN.ClH/c1-2-4(5)3-6;/h4H,2-3,6H2,1H3;1H
InChIKeyGCFJSNTVZBKQCG-UHFFFAOYSA-N
MW127.59 g/mol
LogP1.12
Rot. Bonds2

About 2-fluorobutan-1-amine;hydrochloride

2-fluorobutan-1-amine;hydrochloride (PubChem CID 71755419) has the molecular formula C4H11ClFN and a molecular weight of 127.59 g/mol. Its IUPAC name is 2-fluorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-fluorobutan-1-amine;hydrochloride
PubChem CID71755419
Molecular FormulaC4H11ClFN
Molecular Weight127.59 g/mol
Exact Mass127.06
IUPAC Name2-fluorobutan-1-amine;hydrochloride
SMILESCCC(F)CN.Cl
InChIInChI=1S/C4H10FN.ClH/c1-2-4(5)3-6;/h4H,2-3,6H2,1H3;1H
InChIKeyGCFJSNTVZBKQCG-UHFFFAOYSA-N
XLogP1.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.59
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluorobutan-1-amine;hydrochloride?
The IUPAC name of 2-fluorobutan-1-amine;hydrochloride (CID 71755419) is 2-fluorobutan-1-amine;hydrochloride.
What is the SMILES notation for 2-fluorobutan-1-amine;hydrochloride?
The canonical SMILES for 2-fluorobutan-1-amine;hydrochloride is CCC(F)CN.Cl.
What is the InChIKey of 2-fluorobutan-1-amine;hydrochloride?
The InChIKey is GCFJSNTVZBKQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FN.ClH/c1-2-4(5)3-6;/h4H,2-3,6H2,1H3;1H.
What are the key properties of 2-fluorobutan-1-amine;hydrochloride?
2-fluorobutan-1-amine;hydrochloride has a molecular weight of 127.59 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobutan-1-amine;hydrochloride is sourced from PubChem (CID 71755419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).