3-fluoro-1-methylcyclobutan-1-amine;hydrochloride

C5H11ClFN — CID 105428100

IUPAC3-fluoro-1-methylcyclobutan-1-amine;hydrochloride
SMILESCC1(N)CC(F)C1.Cl
InChIInChI=1S/C5H10FN.ClH/c1-5(7)2-4(6)3-5;/h4H,2-3,7H2,1H3;1H
InChIKeyFMVIGKLZMRUINP-UHFFFAOYSA-N
MW139.60 g/mol
LogP1.26
Rot. Bonds

About 3-fluoro-1-methylcyclobutan-1-amine;hydrochloride

3-fluoro-1-methylcyclobutan-1-amine;hydrochloride (PubChem CID 105428100) has the molecular formula C5H11ClFN and a molecular weight of 139.60 g/mol. Its IUPAC name is 3-fluoro-1-methylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-fluoro-1-methylcyclobutan-1-amine;hydrochloride
PubChem CID105428100
Molecular FormulaC5H11ClFN
Molecular Weight139.60 g/mol
Exact Mass139.06
IUPAC Name3-fluoro-1-methylcyclobutan-1-amine;hydrochloride
SMILESCC1(N)CC(F)C1.Cl
InChIInChI=1S/C5H10FN.ClH/c1-5(7)2-4(6)3-5;/h4H,2-3,7H2,1H3;1H
InChIKeyFMVIGKLZMRUINP-UHFFFAOYSA-N
XLogP1.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.60
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylcyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-fluoro-1-methylcyclobutan-1-amine;hydrochloride (CID 105428100) is 3-fluoro-1-methylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-fluoro-1-methylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-fluoro-1-methylcyclobutan-1-amine;hydrochloride is CC1(N)CC(F)C1.Cl.
What is the InChIKey of 3-fluoro-1-methylcyclobutan-1-amine;hydrochloride?
The InChIKey is FMVIGKLZMRUINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN.ClH/c1-5(7)2-4(6)3-5;/h4H,2-3,7H2,1H3;1H.
What are the key properties of 3-fluoro-1-methylcyclobutan-1-amine;hydrochloride?
3-fluoro-1-methylcyclobutan-1-amine;hydrochloride has a molecular weight of 139.60 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 105428100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).