2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine

C13H14F2N2S — CID 63735993

IUPAC2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine
SMILESCC(Nc1ccc(N)cc1C(F)F)c1ccsc1
InChIInChI=1S/C13H14F2N2S/c1-8(9-4-5-18-7-9)17-12-3-2-10(16)6-11(12)13(14)15/h2-8,13,17H,16H2,1H3
InChIKeyAHQLXFCPKZOAIO-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.44
Rot. Bonds4

About 2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine

2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine (PubChem CID 63735993) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine
PubChem CID63735993
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine
SMILESCC(Nc1ccc(N)cc1C(F)F)c1ccsc1
InChIInChI=1S/C13H14F2N2S/c1-8(9-4-5-18-7-9)17-12-3-2-10(16)6-11(12)13(14)15/h2-8,13,17H,16H2,1H3
InChIKeyAHQLXFCPKZOAIO-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
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-chloro-1-N-(1-thiophen-3-ylethyl)benzene-1,2-diamine
CID 62840811
3-N-(1-thiophen-3-ylethyl)benzene-1,3-diamine
CID 62841671
4-bromo-2-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 63423180
4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline
CID 62091392
5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 62091558
3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide
CID 82990216
2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline
CID 115923359
2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline
CID 62089841
3-chloro-4-(1-thiophen-3-ylethylamino)benzoic acid
CID 63087825
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
CID 63734094
3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide
CID 55122010
2-(1-thiophen-3-ylethylamino)benzenecarbothioamide
CID 62843002

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine (CID 63735993) is 2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine is CC(Nc1ccc(N)cc1C(F)F)c1ccsc1.
What is the InChIKey of 2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine?
The InChIKey is AHQLXFCPKZOAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-8(9-4-5-18-7-9)17-12-3-2-10(16)6-11(12)13(14)15/h2-8,13,17H,16H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine has a molecular weight of 268.33 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 63735993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).