2,2-difluoropropane-1,3-diamine;hydrochloride

C3H9ClF2N2 — CID 19902651

IUPAC2,2-difluoropropane-1,3-diamine;hydrochloride
SMILESCl.NCC(F)(F)CN
InChIInChI=1S/C3H8F2N2.ClH/c4-3(5,1-6)2-7;/h1-2,6-7H2;1H
InChIKeyBJOKYEGZLZEBKX-UHFFFAOYSA-N
MW146.57 g/mol
LogP-0.04
Rot. Bonds2

About 2,2-difluoropropane-1,3-diamine;hydrochloride

2,2-difluoropropane-1,3-diamine;hydrochloride (PubChem CID 19902651) has the molecular formula C3H9ClF2N2 and a molecular weight of 146.57 g/mol. Its IUPAC name is 2,2-difluoropropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name2,2-difluoropropane-1,3-diamine;hydrochloride
PubChem CID19902651
Molecular FormulaC3H9ClF2N2
Molecular Weight146.57 g/mol
Exact Mass146.04
IUPAC Name2,2-difluoropropane-1,3-diamine;hydrochloride
SMILESCl.NCC(F)(F)CN
InChIInChI=1S/C3H8F2N2.ClH/c4-3(5,1-6)2-7;/h1-2,6-7H2;1H
InChIKeyBJOKYEGZLZEBKX-UHFFFAOYSA-N
XLogP-0.04
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.57
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropane-1,3-diamine;hydrochloride?
The IUPAC name of 2,2-difluoropropane-1,3-diamine;hydrochloride (CID 19902651) is 2,2-difluoropropane-1,3-diamine;hydrochloride.
What is the SMILES notation for 2,2-difluoropropane-1,3-diamine;hydrochloride?
The canonical SMILES for 2,2-difluoropropane-1,3-diamine;hydrochloride is Cl.NCC(F)(F)CN.
What is the InChIKey of 2,2-difluoropropane-1,3-diamine;hydrochloride?
The InChIKey is BJOKYEGZLZEBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8F2N2.ClH/c4-3(5,1-6)2-7;/h1-2,6-7H2;1H.
What are the key properties of 2,2-difluoropropane-1,3-diamine;hydrochloride?
2,2-difluoropropane-1,3-diamine;hydrochloride has a molecular weight of 146.57 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 19902651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).