1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine

C9H9ClF5NS — CID 43491985

IUPAC1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
SMILESCCNC(c1ccc(Cl)s1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9ClF5NS/c1-2-16-7(5-3-4-6(10)17-5)8(11,12)9(13,14)15/h3-4,7,16H,2H2,1H3
InChIKeyMKCZFSQTCZWCCC-UHFFFAOYSA-N
MW293.69 g/mol
LogP4.25
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine

1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 43491985) has the molecular formula C9H9ClF5NS and a molecular weight of 293.69 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
PubChem CID43491985
Molecular FormulaC9H9ClF5NS
Molecular Weight293.69 g/mol
Exact Mass293.01
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
SMILESCCNC(c1ccc(Cl)s1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9ClF5NS/c1-2-16-7(5-3-4-6(10)17-5)8(11,12)9(13,14)15/h3-4,7,16H,2H2,1H3
InChIKeyMKCZFSQTCZWCCC-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine with MolForge

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Related Compounds

1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 75428499
((5-Chlorothiophen-2-yl)methyl)(ethyl)amine
CID 2450168
[(5-Chlorothiophen-2-yl)methyl](methyl)amine
CID 2564750
2-(5-Chloro-2-thienyl)pyrrolidine
CID 4305829
1-(5-Chlorothiophen-2-yl)propan-1-amine
CID 17249036
(1R)-1-(5-chlorothiophen-2-yl)ethan-1-amine hydrochloride
CID 68753513
((5-Chlorothiophen-2-yl)methyl)(2-methylpropyl)amine
CID 28566255
2-(3-Chlorothiophen-2-yl)pyrrolidine
CID 55271649
1-(5-Chlorothiophen-2-yl)ethan-1-amine hydrochloride
CID 77567437
2-(5-Chlorothiophen-2-yl)pyrrolidine hydrochloride
CID 165715673
(1S)-1-(5-chlorothiophen-2-yl)ethan-1-amine
CID 40465558
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide
CID 45879040

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine (CID 43491985) is 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine is CCNC(c1ccc(Cl)s1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine?
The InChIKey is MKCZFSQTCZWCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF5NS/c1-2-16-7(5-3-4-6(10)17-5)8(11,12)9(13,14)15/h3-4,7,16H,2H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine?
1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine has a molecular weight of 293.69 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 43491985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).