2-fluoro-2-methylpropane-1,3-diamine;hydrochloride

C4H12ClFN2 — CID 19902655

IUPAC2-fluoro-2-methylpropane-1,3-diamine;hydrochloride
SMILESCC(F)(CN)CN.Cl
InChIInChI=1S/C4H11FN2.ClH/c1-4(5,2-6)3-7;/h2-3,6-7H2,1H3;1H
InChIKeyROEYRKLFPMXFIE-UHFFFAOYSA-N
MW142.61 g/mol
LogP0.05
Rot. Bonds2

About 2-fluoro-2-methylpropane-1,3-diamine;hydrochloride

2-fluoro-2-methylpropane-1,3-diamine;hydrochloride (PubChem CID 19902655) has the molecular formula C4H12ClFN2 and a molecular weight of 142.61 g/mol. Its IUPAC name is 2-fluoro-2-methylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name2-fluoro-2-methylpropane-1,3-diamine;hydrochloride
PubChem CID19902655
Molecular FormulaC4H12ClFN2
Molecular Weight142.61 g/mol
Exact Mass142.07
IUPAC Name2-fluoro-2-methylpropane-1,3-diamine;hydrochloride
SMILESCC(F)(CN)CN.Cl
InChIInChI=1S/C4H11FN2.ClH/c1-4(5,2-6)3-7;/h2-3,6-7H2,1H3;1H
InChIKeyROEYRKLFPMXFIE-UHFFFAOYSA-N
XLogP0.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.61
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methylpropane-1,3-diamine;hydrochloride?
The IUPAC name of 2-fluoro-2-methylpropane-1,3-diamine;hydrochloride (CID 19902655) is 2-fluoro-2-methylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for 2-fluoro-2-methylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for 2-fluoro-2-methylpropane-1,3-diamine;hydrochloride is CC(F)(CN)CN.Cl.
What is the InChIKey of 2-fluoro-2-methylpropane-1,3-diamine;hydrochloride?
The InChIKey is ROEYRKLFPMXFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FN2.ClH/c1-4(5,2-6)3-7;/h2-3,6-7H2,1H3;1H.
What are the key properties of 2-fluoro-2-methylpropane-1,3-diamine;hydrochloride?
2-fluoro-2-methylpropane-1,3-diamine;hydrochloride has a molecular weight of 142.61 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 19902655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).