2,2-difluoropropane-1,1-diamine;hydrochloride

C3H9ClF2N2 — CID 87958689

IUPAC2,2-difluoropropane-1,1-diamine;hydrochloride
SMILESCC(F)(F)C(N)N.Cl
InChIInChI=1S/C3H8F2N2.ClH/c1-3(4,5)2(6)7;/h2H,6-7H2,1H3;1H
InChIKeyOTYUQUZNSGVIBQ-UHFFFAOYSA-N
MW146.57 g/mol
LogP0.31
Rot. Bonds1

About 2,2-difluoropropane-1,1-diamine;hydrochloride

2,2-difluoropropane-1,1-diamine;hydrochloride (PubChem CID 87958689) has the molecular formula C3H9ClF2N2 and a molecular weight of 146.57 g/mol. Its IUPAC name is 2,2-difluoropropane-1,1-diamine;hydrochloride.

Molecular Properties

Compound Name2,2-difluoropropane-1,1-diamine;hydrochloride
PubChem CID87958689
Molecular FormulaC3H9ClF2N2
Molecular Weight146.57 g/mol
Exact Mass146.04
IUPAC Name2,2-difluoropropane-1,1-diamine;hydrochloride
SMILESCC(F)(F)C(N)N.Cl
InChIInChI=1S/C3H8F2N2.ClH/c1-3(4,5)2(6)7;/h2H,6-7H2,1H3;1H
InChIKeyOTYUQUZNSGVIBQ-UHFFFAOYSA-N
XLogP0.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.57
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropane-1,1-diamine;hydrochloride?
The IUPAC name of 2,2-difluoropropane-1,1-diamine;hydrochloride (CID 87958689) is 2,2-difluoropropane-1,1-diamine;hydrochloride.
What is the SMILES notation for 2,2-difluoropropane-1,1-diamine;hydrochloride?
The canonical SMILES for 2,2-difluoropropane-1,1-diamine;hydrochloride is CC(F)(F)C(N)N.Cl.
What is the InChIKey of 2,2-difluoropropane-1,1-diamine;hydrochloride?
The InChIKey is OTYUQUZNSGVIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8F2N2.ClH/c1-3(4,5)2(6)7;/h2H,6-7H2,1H3;1H.
What are the key properties of 2,2-difluoropropane-1,1-diamine;hydrochloride?
2,2-difluoropropane-1,1-diamine;hydrochloride has a molecular weight of 146.57 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropane-1,1-diamine;hydrochloride is sourced from PubChem (CID 87958689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).