2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride

C6H17Cl2FN2 — CID 122239506

IUPAC2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride
SMILESCC(C)C(F)(CN)CN.Cl.Cl
InChIInChI=1S/C6H15FN2.2ClH/c1-5(2)6(7,3-8)4-9;;/h5H,3-4,8-9H2,1-2H3;2*1H
InChIKeyANLDQXKTIZOZSS-UHFFFAOYSA-N
MW207.12 g/mol
LogP1.11
Rot. Bonds3

About 2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride

2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride (PubChem CID 122239506) has the molecular formula C6H17Cl2FN2 and a molecular weight of 207.12 g/mol. Its IUPAC name is 2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride
PubChem CID122239506
Molecular FormulaC6H17Cl2FN2
Molecular Weight207.12 g/mol
Exact Mass206.08
IUPAC Name2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride
SMILESCC(C)C(F)(CN)CN.Cl.Cl
InChIInChI=1S/C6H15FN2.2ClH/c1-5(2)6(7,3-8)4-9;;/h5H,3-4,8-9H2,1-2H3;2*1H
InChIKeyANLDQXKTIZOZSS-UHFFFAOYSA-N
XLogP1.11
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Fluoro-2,3-dimethylbutan-1-amine hydrochloride
CID 165991386
2-Fluoro-2-propan-2-ylpropane-1,3-diamine
CID 122239507
2-Ethyl-1,3-propanediamine dihydrochloride
CID 18961239
(4-Azaniumyl-2,3-dimethylbutyl)azanium dichloride
CID 91480267
2-(Aminomethyl)-2-fluorobutan-1-amine dihydrochloride
CID 122239496
2-(Aminomethyl)-2-fluoro-4-methylpentan-1-amine dihydrochloride
CID 122239519
2-(Aminomethyl)-2-fluoro-3-methylpentan-1-amine dihydrochloride
CID 122239581

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride?
The IUPAC name of 2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride (CID 122239506) is 2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride?
The canonical SMILES for 2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride is CC(C)C(F)(CN)CN.Cl.Cl.
What is the InChIKey of 2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride?
The InChIKey is ANLDQXKTIZOZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FN2.2ClH/c1-5(2)6(7,3-8)4-9;;/h5H,3-4,8-9H2,1-2H3;2*1H.
What are the key properties of 2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride?
2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride has a molecular weight of 207.12 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 122239506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).