2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride

C5H15Cl2FN2 — CID 122239496

IUPAC2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride
SMILESCCC(F)(CN)CN.Cl.Cl
InChIInChI=1S/C5H13FN2.2ClH/c1-2-5(6,3-7)4-8;;/h2-4,7-8H2,1H3;2*1H
InChIKeyMFLUDMKLLJBAOS-UHFFFAOYSA-N
MW193.09 g/mol
LogP0.87
Rot. Bonds3

About 2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride

2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride (PubChem CID 122239496) has the molecular formula C5H15Cl2FN2 and a molecular weight of 193.09 g/mol. Its IUPAC name is 2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride
PubChem CID122239496
Molecular FormulaC5H15Cl2FN2
Molecular Weight193.09 g/mol
Exact Mass192.06
IUPAC Name2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride
SMILESCCC(F)(CN)CN.Cl.Cl
InChIInChI=1S/C5H13FN2.2ClH/c1-2-5(6,3-7)4-8;;/h2-4,7-8H2,1H3;2*1H
InChIKeyMFLUDMKLLJBAOS-UHFFFAOYSA-N
XLogP0.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.09
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride?
The IUPAC name of 2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride (CID 122239496) is 2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride?
The canonical SMILES for 2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride is CCC(F)(CN)CN.Cl.Cl.
What is the InChIKey of 2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride?
The InChIKey is MFLUDMKLLJBAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13FN2.2ClH/c1-2-5(6,3-7)4-8;;/h2-4,7-8H2,1H3;2*1H.
What are the key properties of 2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride?
2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride has a molecular weight of 193.09 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluoropropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 122239496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).