N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline

C12H10ClF2NS — CID 114082630

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline
SMILESCC(Nc1cc(F)cc(F)c1)c1csc(Cl)c1
InChIInChI=1S/C12H10ClF2NS/c1-7(8-2-12(13)17-6-8)16-11-4-9(14)3-10(15)5-11/h2-7,16H,1H3
InChIKeyVEOPIPAYDCHGAU-UHFFFAOYSA-N
MW273.74 g/mol
LogP4.85
Rot. Bonds3

About N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline

N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline (PubChem CID 114082630) has the molecular formula C12H10ClF2NS and a molecular weight of 273.74 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline
PubChem CID114082630
Molecular FormulaC12H10ClF2NS
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline
SMILESCC(Nc1cc(F)cc(F)c1)c1csc(Cl)c1
InChIInChI=1S/C12H10ClF2NS/c1-7(8-2-12(13)17-6-8)16-11-4-9(14)3-10(15)5-11/h2-7,16H,1H3
InChIKeyVEOPIPAYDCHGAU-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline
CID 102976781
N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43106541
N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]ethanesulfonamide
CID 102976918
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylaniline
CID 102976894
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
N-[1-(5-chlorothiophen-3-yl)ethyl]-3-ethynylaniline
CID 114082603
2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline
CID 114082819
1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 102976441
N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline
CID 43100376
N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide
CID 102976919
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107363878

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline (CID 114082630) is N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline is CC(Nc1cc(F)cc(F)c1)c1csc(Cl)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline?
The InChIKey is VEOPIPAYDCHGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NS/c1-7(8-2-12(13)17-6-8)16-11-4-9(14)3-10(15)5-11/h2-7,16H,1H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline?
N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline has a molecular weight of 273.74 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline is sourced from PubChem (CID 114082630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).