1-(2,4-difluorophenyl)propane-1,2-diamine

C9H12F2N2 — CID 20546527

IUPAC1-(2,4-difluorophenyl)propane-1,2-diamine
SMILESCC(N)C(N)c1ccc(F)cc1F
InChIInChI=1S/C9H12F2N2/c1-5(12)9(13)7-3-2-6(10)4-8(7)11/h2-5,9H,12-13H2,1H3
InChIKeyFLFMCEBZMWEALG-UHFFFAOYSA-N
MW186.20 g/mol
LogP1.31
Rot. Bonds2

About 1-(2,4-difluorophenyl)propane-1,2-diamine

1-(2,4-difluorophenyl)propane-1,2-diamine (PubChem CID 20546527) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)propane-1,2-diamine
PubChem CID20546527
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name1-(2,4-difluorophenyl)propane-1,2-diamine
SMILESCC(N)C(N)c1ccc(F)cc1F
InChIInChI=1S/C9H12F2N2/c1-5(12)9(13)7-3-2-6(10)4-8(7)11/h2-5,9H,12-13H2,1H3
InChIKeyFLFMCEBZMWEALG-UHFFFAOYSA-N
XLogP1.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
CID 28973274
1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine
CID 116934030
1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine
CID 79492526
(2,4-difluorophenyl)methanediamine
CID 116939170
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
(1S,2R)-1-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-ol
CID 171266705
2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
CID 121459140
1-(2,4-difluorophenyl)-2-methoxybutan-1-amine
CID 116715202
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
2-amino-3-(2,4-difluorophenyl)butan-1-ol
CID 83908387
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)propane-1,2-diamine?
The IUPAC name of 1-(2,4-difluorophenyl)propane-1,2-diamine (CID 20546527) is 1-(2,4-difluorophenyl)propane-1,2-diamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)propane-1,2-diamine?
The canonical SMILES for 1-(2,4-difluorophenyl)propane-1,2-diamine is CC(N)C(N)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)propane-1,2-diamine?
The InChIKey is FLFMCEBZMWEALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-5(12)9(13)7-3-2-6(10)4-8(7)11/h2-5,9H,12-13H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)propane-1,2-diamine?
1-(2,4-difluorophenyl)propane-1,2-diamine has a molecular weight of 186.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)propane-1,2-diamine is sourced from PubChem (CID 20546527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).