4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine

C10H14F3NS — CID 60998116

IUPAC4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESFC(F)(F)CNCCCCc1cccs1
InChIInChI=1S/C10H14F3NS/c11-10(12,13)8-14-6-2-1-4-9-5-3-7-15-9/h3,5,7,14H,1-2,4,6,8H2
InChIKeyXOBRFMNKSMCKII-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.22
Rot. Bonds6

About 4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine

4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine (PubChem CID 60998116) has the molecular formula C10H14F3NS and a molecular weight of 237.29 g/mol. Its IUPAC name is 4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine.

Molecular Properties

Compound Name4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine
PubChem CID60998116
Molecular FormulaC10H14F3NS
Molecular Weight237.29 g/mol
Exact Mass237.08
IUPAC Name4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESFC(F)(F)CNCCCCc1cccs1
InChIInChI=1S/C10H14F3NS/c11-10(12,13)8-14-6-2-1-4-9-5-3-7-15-9/h3,5,7,14H,1-2,4,6,8H2
InChIKeyXOBRFMNKSMCKII-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.22
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-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
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CID 83980454
N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine
CID 113410415
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CID 83456686
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
ethane;2-pentylthiophene
CID 143883800
2-(5-chloropentyl)thiophene
CID 4912993
20-thiophen-2-ylicosane-1-thiol
CID 15444594
10-thiophen-2-yldecan-1-ol
CID 22992199

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The IUPAC name of 4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine (CID 60998116) is 4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine.
What is the SMILES notation for 4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The canonical SMILES for 4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine is FC(F)(F)CNCCCCc1cccs1.
What is the InChIKey of 4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The InChIKey is XOBRFMNKSMCKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NS/c11-10(12,13)8-14-6-2-1-4-9-5-3-7-15-9/h3,5,7,14H,1-2,4,6,8H2.
What are the key properties of 4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine?
4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine has a molecular weight of 237.29 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine is sourced from PubChem (CID 60998116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).