N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine

C9H12ClF2NS — CID 107361897

IUPACN-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNC(c1sccc1Cl)C(F)F
InChIInChI=1S/C9H12ClF2NS/c1-2-4-13-7(9(11)12)8-6(10)3-5-14-8/h3,5,7,9,13H,2,4H2,1H3
InChIKeyRHDDUFNHVBJHSE-UHFFFAOYSA-N
MW239.72 g/mol
LogP3.71
Rot. Bonds5

About N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine

N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine (PubChem CID 107361897) has the molecular formula C9H12ClF2NS and a molecular weight of 239.72 g/mol. Its IUPAC name is N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine
PubChem CID107361897
Molecular FormulaC9H12ClF2NS
Molecular Weight239.72 g/mol
Exact Mass239.03
IUPAC NameN-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNC(c1sccc1Cl)C(F)F
InChIInChI=1S/C9H12ClF2NS/c1-2-4-13-7(9(11)12)8-6(10)3-5-14-8/h3,5,7,9,13H,2,4H2,1H3
InChIKeyRHDDUFNHVBJHSE-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
CID 80529506
N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
CID 80529572
N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine
CID 103759718
N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 103517279
N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 80529345
N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 107359767
1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine
CID 115819887
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601
N-[(3-chlorothiophen-2-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 80644875
N-[1-(3-chlorothiophen-2-yl)-2-propylsulfanylethyl]propan-1-amine
CID 107359771
N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 80528847
N-[(3-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477482

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine (CID 107361897) is N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine is CCCNC(c1sccc1Cl)C(F)F.
What is the InChIKey of N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine?
The InChIKey is RHDDUFNHVBJHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2NS/c1-2-4-13-7(9(11)12)8-6(10)3-5-14-8/h3,5,7,9,13H,2,4H2,1H3.
What are the key properties of N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine?
N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine has a molecular weight of 239.72 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine is sourced from PubChem (CID 107361897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).