2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide

C13H10F3NOS — CID 62733554

IUPAC2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(NC(c1ccccc1)c1cccs1)C(F)(F)F
InChIInChI=1S/C13H10F3NOS/c14-13(15,16)12(18)17-11(10-7-4-8-19-10)9-5-2-1-3-6-9/h1-8,11H,(H,17,18)
InChIKeyNMVHXLRPKCQMTG-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.52
Rot. Bonds3

About 2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide

2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 62733554) has the molecular formula C13H10F3NOS and a molecular weight of 285.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID62733554
Molecular FormulaC13H10F3NOS
Molecular Weight285.29 g/mol
Exact Mass285.04
IUPAC Name2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(NC(c1ccccc1)c1cccs1)C(F)(F)F
InChIInChI=1S/C13H10F3NOS/c14-13(15,16)12(18)17-11(10-7-4-8-19-10)9-5-2-1-3-6-9/h1-8,11H,(H,17,18)
InChIKeyNMVHXLRPKCQMTG-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 115426261
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
2-hydroxy-2,2-diphenyl-N'-[phenyl(thiophen-2-yl)methyl]acetohydrazide
CID 3780877
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
2-(2-fluorophenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8854118
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 55798665
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid
CID 66172307
(E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide
CID 8853725

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide (CID 62733554) is 2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide is O=C(NC(c1ccccc1)c1cccs1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is NMVHXLRPKCQMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NOS/c14-13(15,16)12(18)17-11(10-7-4-8-19-10)9-5-2-1-3-6-9/h1-8,11H,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide?
2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 285.29 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 62733554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).