N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline

C16H16F3NS — CID 63477350

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline
SMILESFc1cc(F)c(F)c(NC(c2cccs2)C2CCCC2)c1
InChIInChI=1S/C16H16F3NS/c17-11-8-12(18)15(19)13(9-11)20-16(10-4-1-2-5-10)14-6-3-7-21-14/h3,6-10,16,20H,1-2,4-5H2
InChIKeyHJWKNWUIBJZFCN-UHFFFAOYSA-N
MW311.37 g/mol
LogP5.51
Rot. Bonds4

About N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline

N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline (PubChem CID 63477350) has the molecular formula C16H16F3NS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline
PubChem CID63477350
Molecular FormulaC16H16F3NS
Molecular Weight311.37 g/mol
Exact Mass311.10
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline
SMILESFc1cc(F)c(F)c(NC(c2cccs2)C2CCCC2)c1
InChIInChI=1S/C16H16F3NS/c17-11-8-12(18)15(19)13(9-11)20-16(10-4-1-2-5-10)14-6-3-7-21-14/h3,6-10,16,20H,1-2,4-5H2
InChIKeyHJWKNWUIBJZFCN-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.37
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[cyclopentyl(thiophen-2-yl)methyl]-2,5-difluoroaniline
CID 107609695
N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline
CID 62809644
N-[cyclopropyl(thiophen-2-yl)methyl]-2,4,5-trifluoroaniline
CID 55118586
1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 103851306
N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline
CID 55193341
N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline
CID 79055355
N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline
CID 43775939
N-[cyclopropyl(thiophen-2-yl)methyl]-2,4-difluoro-6-nitroaniline
CID 81304481
2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline
CID 65469886
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
CID 43765836
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline (CID 63477350) is N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline is Fc1cc(F)c(F)c(NC(c2cccs2)C2CCCC2)c1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline?
The InChIKey is HJWKNWUIBJZFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NS/c17-11-8-12(18)15(19)13(9-11)20-16(10-4-1-2-5-10)14-6-3-7-21-14/h3,6-10,16,20H,1-2,4-5H2.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline?
N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline has a molecular weight of 311.37 g/mol, XLogP of 5.51, 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]-2,3,5-trifluoroaniline is sourced from PubChem (CID 63477350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).