N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine

C7H7Cl2F2NS — CID 107961506

IUPACN-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1cc(Cl)sc1Cl
InChIInChI=1S/C7H7Cl2F2NS/c8-5-1-4(7(9)13-5)2-12-3-6(10)11/h1,6,12H,2-3H2
InChIKeyNHRAKMYDQFDODY-UHFFFAOYSA-N
MW246.11 g/mol
LogP3.41
Rot. Bonds4

About N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine

N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine (PubChem CID 107961506) has the molecular formula C7H7Cl2F2NS and a molecular weight of 246.11 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine
PubChem CID107961506
Molecular FormulaC7H7Cl2F2NS
Molecular Weight246.11 g/mol
Exact Mass244.96
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1cc(Cl)sc1Cl
InChIInChI=1S/C7H7Cl2F2NS/c8-5-1-4(7(9)13-5)2-12-3-6(10)11/h1,6,12H,2-3H2
InChIKeyNHRAKMYDQFDODY-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine with MolForge

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43493034
N-[1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 43497731
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 103787665
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 105555442
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-2,2-difluoroethanamine
CID 105556813
N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 107961499
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 113463319
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 115727220
(2S)-N-[(2-chlorothiophen-3-yl)methyl]-1-fluoropropan-2-amine
CID 124253615
N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroacetamide
CID 131187252
N-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine
CID 131224237
n-[(5-Chlorothiophen-3-yl)methyl]-3,3-difluorocyclobutan-1-amine
CID 164650654

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine (CID 107961506) is N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine is FC(F)CNCc1cc(Cl)sc1Cl.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is NHRAKMYDQFDODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2F2NS/c8-5-1-4(7(9)13-5)2-12-3-6(10)11/h1,6,12H,2-3H2.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine?
N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 246.11 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 107961506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).