N-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine

C12H16F3NS — CID 43755120

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C12H16F3NS/c13-12(14,15)8-16-11(9-4-1-2-5-9)10-6-3-7-17-10/h3,6-7,9,11,16H,1-2,4-5,8H2
InChIKeyXSSIBFWQZOZWMN-UHFFFAOYSA-N
MW263.33 g/mol
LogP4.13
Rot. Bonds4

About N-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine

N-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 43755120) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID43755120
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C12H16F3NS/c13-12(14,15)8-16-11(9-4-1-2-5-9)10-6-3-7-17-10/h3,6-7,9,11,16H,1-2,4-5,8H2
InChIKeyXSSIBFWQZOZWMN-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine (CID 43755120) is N-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNC(c1cccs1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is XSSIBFWQZOZWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NS/c13-12(14,15)8-16-11(9-4-1-2-5-9)10-6-3-7-17-10/h3,6-7,9,11,16H,1-2,4-5,8H2.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 263.33 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43755120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).