2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine

C10H12F2N2O2 — CID 103387165

IUPAC2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C10H12F2N2O2/c1-6(5-13)14-7-2-3-8-9(4-7)16-10(11,12)15-8/h2-4,6,14H,5,13H2,1H3
InChIKeyDJZTZCFMJCBQKZ-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.77
Rot. Bonds3

About 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine

2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine (PubChem CID 103387165) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine
PubChem CID103387165
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C10H12F2N2O2/c1-6(5-13)14-7-2-3-8-9(4-7)16-10(11,12)15-8/h2-4,6,14H,5,13H2,1H3
InChIKeyDJZTZCFMJCBQKZ-UHFFFAOYSA-N
XLogP1.77
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 103387198
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-prop-2-ynylpropanamide
CID 43113643
N-butyl-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide
CID 43113642
2,2-difluoro-N-[1-(3-methylphenyl)ethyl]-1,3-benzodioxol-5-amine
CID 43760727
2,2-dimethyl-N-pentan-2-yl-1,3-benzodioxol-5-amine
CID 43676303
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylpropyl)guanidine
CID 55068216
N-[1-(3-bromophenyl)ethyl]-2,2-difluoro-1,3-benzodioxol-5-amine
CID 43101984
3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)butanamide;hydrochloride
CID 119693705
3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]butanoic acid
CID 61185302
N-butyl-2,2-difluoro-1,3-benzodioxol-5-amine
CID 29277454
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylbutanamide
CID 24702400

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine (CID 103387165) is 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine is CC(CN)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine?
The InChIKey is DJZTZCFMJCBQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-6(5-13)14-7-2-3-8-9(4-7)16-10(11,12)15-8/h2-4,6,14H,5,13H2,1H3.
What are the key properties of 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine?
2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine has a molecular weight of 230.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine is sourced from PubChem (CID 103387165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).