N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline

C14H12F3NS — CID 62809644

IUPACN-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline
SMILESFc1cc(NC(c2cccs2)C2CC2)cc(F)c1F
InChIInChI=1S/C14H12F3NS/c15-10-6-9(7-11(16)13(10)17)18-14(8-3-4-8)12-2-1-5-19-12/h1-2,5-8,14,18H,3-4H2
InChIKeyNVJCTSZDOZDONJ-UHFFFAOYSA-N
MW283.32 g/mol
LogP4.73
Rot. Bonds4

About N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline

N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline (PubChem CID 62809644) has the molecular formula C14H12F3NS and a molecular weight of 283.32 g/mol. Its IUPAC name is N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline.

Molecular Properties

Compound NameN-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline
PubChem CID62809644
Molecular FormulaC14H12F3NS
Molecular Weight283.32 g/mol
Exact Mass283.06
IUPAC NameN-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline
SMILESFc1cc(NC(c2cccs2)C2CC2)cc(F)c1F
InChIInChI=1S/C14H12F3NS/c15-10-6-9(7-11(16)13(10)17)18-14(8-3-4-8)12-2-1-5-19-12/h1-2,5-8,14,18H,3-4H2
InChIKeyNVJCTSZDOZDONJ-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline
CID 79055355
N-[cyclopropyl(thiophen-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62810181
N-[cyclopropyl(thiophen-2-yl)methyl]-2,4,5-trifluoroaniline
CID 55118586
N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline
CID 63477350
N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline
CID 43775939
3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 62810348
N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 54983465
4-bromo-N-[cyclopentyl(thiophen-2-yl)methyl]-2,5-difluoroaniline
CID 107609695
N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
CID 43765836
2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol
CID 54982811
N-[cyclopropyl(thiophen-2-yl)methyl]-2,4-difluoro-6-nitroaniline
CID 81304481
2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
CID 107597366

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline?
The IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline (CID 62809644) is N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline.
What is the SMILES notation for N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline?
The canonical SMILES for N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline is Fc1cc(NC(c2cccs2)C2CC2)cc(F)c1F.
What is the InChIKey of N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline?
The InChIKey is NVJCTSZDOZDONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NS/c15-10-6-9(7-11(16)13(10)17)18-14(8-3-4-8)12-2-1-5-19-12/h1-2,5-8,14,18H,3-4H2.
What are the key properties of N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline?
N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline has a molecular weight of 283.32 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline is sourced from PubChem (CID 62809644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).