2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline

C13H13F2NS — CID 61076983

IUPAC2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1cccc(F)c1F)c1cccs1
InChIInChI=1S/C13H13F2NS/c1-2-10(12-7-4-8-17-12)16-11-6-3-5-9(14)13(11)15/h3-8,10,16H,2H2,1H3
InChIKeyHLUNBAPLKDVXRK-UHFFFAOYSA-N
MW253.32 g/mol
LogP4.59
Rot. Bonds4

About 2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline

2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline (PubChem CID 61076983) has the molecular formula C13H13F2NS and a molecular weight of 253.32 g/mol. Its IUPAC name is 2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
PubChem CID61076983
Molecular FormulaC13H13F2NS
Molecular Weight253.32 g/mol
Exact Mass253.07
IUPAC Name2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1cccc(F)c1F)c1cccs1
InChIInChI=1S/C13H13F2NS/c1-2-10(12-7-4-8-17-12)16-11-6-3-5-9(14)13(11)15/h3-8,10,16H,2H2,1H3
InChIKeyHLUNBAPLKDVXRK-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43104270
2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline
CID 63462752
2-bromo-3-fluoro-4-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 107534858
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384
N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline
CID 63452522
N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide
CID 43734480
2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
CID 81264228
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003
3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 115550269
3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 112675753
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
CID 63734094
N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
CID 43103908

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline (CID 61076983) is 2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline is CCC(Nc1cccc(F)c1F)c1cccs1.
What is the InChIKey of 2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline?
The InChIKey is HLUNBAPLKDVXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NS/c1-2-10(12-7-4-8-17-12)16-11-6-3-5-9(14)13(11)15/h3-8,10,16H,2H2,1H3.
What are the key properties of 2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline?
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline has a molecular weight of 253.32 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 61076983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).