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

C7H17Cl2FN2 — CID 122239888

IUPAC2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride
SMILESCl.Cl.NCC(F)(CN)C1CCC1
InChIInChI=1S/C7H15FN2.2ClH/c8-7(4-9,5-10)6-2-1-3-6;;/h6H,1-5,9-10H2;2*1H
InChIKeyYMCFRVGDKBJKMN-UHFFFAOYSA-N
MW219.13 g/mol
LogP1.26
Rot. Bonds3

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

2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride (PubChem CID 122239888) has the molecular formula C7H17Cl2FN2 and a molecular weight of 219.13 g/mol. Its IUPAC name is 2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride
PubChem CID122239888
Molecular FormulaC7H17Cl2FN2
Molecular Weight219.13 g/mol
Exact Mass218.08
IUPAC Name2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride
SMILESCl.Cl.NCC(F)(CN)C1CCC1
InChIInChI=1S/C7H15FN2.2ClH/c8-7(4-9,5-10)6-2-1-3-6;;/h6H,1-5,9-10H2;2*1H
InChIKeyYMCFRVGDKBJKMN-UHFFFAOYSA-N
XLogP1.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride?
The IUPAC name of 2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride (CID 122239888) is 2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride?
The canonical SMILES for 2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride is Cl.Cl.NCC(F)(CN)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride?
The InChIKey is YMCFRVGDKBJKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2.2ClH/c8-7(4-9,5-10)6-2-1-3-6;;/h6H,1-5,9-10H2;2*1H.
What are the key properties of 2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride?
2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride has a molecular weight of 219.13 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 122239888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).