N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine

C8H10ClF2NS — CID 106046426

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
SMILESFC(F)CNCCc1ccc(Cl)s1
InChIInChI=1S/C8H10ClF2NS/c9-7-2-1-6(13-7)3-4-12-5-8(10)11/h1-2,8,12H,3-5H2
InChIKeyHFQXFFNJNKQBFO-UHFFFAOYSA-N
MW225.69 g/mol
LogP2.80
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine

N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine (PubChem CID 106046426) has the molecular formula C8H10ClF2NS and a molecular weight of 225.69 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
PubChem CID106046426
Molecular FormulaC8H10ClF2NS
Molecular Weight225.69 g/mol
Exact Mass225.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
SMILESFC(F)CNCCc1ccc(Cl)s1
InChIInChI=1S/C8H10ClF2NS/c9-7-2-1-6(13-7)3-4-12-5-8(10)11/h1-2,8,12H,3-5H2
InChIKeyHFQXFFNJNKQBFO-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine
CID 106046541
2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 113223446
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylpentan-1-amine
CID 102671613
2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 114140380
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 106046390
5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol
CID 106046424
2-acetamido-3-[2-(5-chlorothiophen-2-yl)ethylamino]propanoic acid
CID 106036805
2-(5-chlorothiophen-2-yl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 114140350
N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 106046261
methyl 2-acetamido-3-[2-(5-chlorothiophen-2-yl)ethylamino]propanoate
CID 106036862
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine
CID 106046471
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine
CID 106046353

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine (CID 106046426) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine is FC(F)CNCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine?
The InChIKey is HFQXFFNJNKQBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2NS/c9-7-2-1-6(13-7)3-4-12-5-8(10)11/h1-2,8,12H,3-5H2.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine has a molecular weight of 225.69 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine is sourced from PubChem (CID 106046426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).