2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride

C7H19Cl2FN2 — CID 122239581

IUPAC2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride
SMILESCCC(C)C(F)(CN)CN.Cl.Cl
InChIInChI=1S/C7H17FN2.2ClH/c1-3-6(2)7(8,4-9)5-10;;/h6H,3-5,9-10H2,1-2H3;2*1H
InChIKeyMWOAPBWIDWMOHA-UHFFFAOYSA-N
MW221.15 g/mol
LogP1.50
Rot. Bonds4

About 2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride

2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride (PubChem CID 122239581) has the molecular formula C7H19Cl2FN2 and a molecular weight of 221.15 g/mol. Its IUPAC name is 2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride
PubChem CID122239581
Molecular FormulaC7H19Cl2FN2
Molecular Weight221.15 g/mol
Exact Mass220.09
IUPAC Name2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride
SMILESCCC(C)C(F)(CN)CN.Cl.Cl
InChIInChI=1S/C7H17FN2.2ClH/c1-3-6(2)7(8,4-9)5-10;;/h6H,3-5,9-10H2,1-2H3;2*1H
InChIKeyMWOAPBWIDWMOHA-UHFFFAOYSA-N
XLogP1.50
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride?
The IUPAC name of 2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride (CID 122239581) is 2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride?
The canonical SMILES for 2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride is CCC(C)C(F)(CN)CN.Cl.Cl.
What is the InChIKey of 2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride?
The InChIKey is MWOAPBWIDWMOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17FN2.2ClH/c1-3-6(2)7(8,4-9)5-10;;/h6H,3-5,9-10H2,1-2H3;2*1H.
What are the key properties of 2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride?
2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride has a molecular weight of 221.15 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2-fluoropropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 122239581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).