N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine

C9H10F3NS — CID 25146164

IUPACN-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine
SMILESFC(F)(F)C(NC1CC1)c1cccs1
InChIInChI=1S/C9H10F3NS/c10-9(11,12)8(13-6-3-4-6)7-2-1-5-14-7/h1-2,5-6,8,13H,3-4H2
InChIKeyBLIBQSHLCXMOSF-UHFFFAOYSA-N
MW221.25 g/mol
LogP3.10
Rot. Bonds3

About N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine

N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine (PubChem CID 25146164) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine
PubChem CID25146164
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC NameN-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine
SMILESFC(F)(F)C(NC1CC1)c1cccs1
InChIInChI=1S/C9H10F3NS/c10-9(11,12)8(13-6-3-4-6)7-2-1-5-14-7/h1-2,5-6,8,13H,3-4H2
InChIKeyBLIBQSHLCXMOSF-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine?
The IUPAC name of N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine (CID 25146164) is N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine.
What is the SMILES notation for N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine?
The canonical SMILES for N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine is FC(F)(F)C(NC1CC1)c1cccs1.
What is the InChIKey of N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine?
The InChIKey is BLIBQSHLCXMOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NS/c10-9(11,12)8(13-6-3-4-6)7-2-1-5-14-7/h1-2,5-6,8,13H,3-4H2.
What are the key properties of N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine?
N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine has a molecular weight of 221.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)cyclopropanamine is sourced from PubChem (CID 25146164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).