3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine

C13H14F2N2S — CID 113325205

IUPAC3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
SMILESCC(Cc1ccsc1)Nc1cc(F)cc(F)c1N
InChIInChI=1S/C13H14F2N2S/c1-8(4-9-2-3-18-7-9)17-12-6-10(14)5-11(15)13(12)16/h2-3,5-8,17H,4,16H2,1H3
InChIKeyGISMRBGPYRMEQT-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.65
Rot. Bonds4

About 3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine

3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine (PubChem CID 113325205) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
PubChem CID113325205
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
SMILESCC(Cc1ccsc1)Nc1cc(F)cc(F)c1N
InChIInChI=1S/C13H14F2N2S/c1-8(4-9-2-3-18-7-9)17-12-6-10(14)5-11(15)13(12)16/h2-3,5-8,17H,4,16H2,1H3
InChIKeyGISMRBGPYRMEQT-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 62376964
3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 54953307
3,5-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 115506987
2-amino-3-fluoro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 83215271
3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine
CID 115506741
1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine
CID 115506451
1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61474884
3-fluoro-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 61474560
3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine
CID 115507118
1-N-[4-(dimethylamino)butan-2-yl]-3,5-difluorobenzene-1,2-diamine
CID 115506768
5-fluoro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 61474267
N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61472940

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine?
The IUPAC name of 3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine (CID 113325205) is 3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine is CC(Cc1ccsc1)Nc1cc(F)cc(F)c1N.
What is the InChIKey of 3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine?
The InChIKey is GISMRBGPYRMEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-8(4-9-2-3-18-7-9)17-12-6-10(14)5-11(15)13(12)16/h2-3,5-8,17H,4,16H2,1H3.
What are the key properties of 3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine?
3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine has a molecular weight of 268.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 113325205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).