N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide

C8H7ClF3NOS — CID 62491611

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)C(F)(F)F
InChIInChI=1S/C8H7ClF3NOS/c1-13(7(14)8(10,11)12)4-5-2-3-6(9)15-5/h2-3H,4H2,1H3
InChIKeyVWTZWOVJFCWIHW-UHFFFAOYSA-N
MW257.66 g/mol
LogP2.92
Rot. Bonds2

About N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 62491611) has the molecular formula C8H7ClF3NOS and a molecular weight of 257.66 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID62491611
Molecular FormulaC8H7ClF3NOS
Molecular Weight257.66 g/mol
Exact Mass256.99
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)C(F)(F)F
InChIInChI=1S/C8H7ClF3NOS/c1-13(7(14)8(10,11)12)4-5-2-3-6(9)15-5/h2-3H,4H2,1H3
InChIKeyVWTZWOVJFCWIHW-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.66
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide
CID 114038099
N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide
CID 130639217
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 79013221
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide (CID 62491611) is N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide is CN(Cc1ccc(Cl)s1)C(=O)C(F)(F)F.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is VWTZWOVJFCWIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NOS/c1-13(7(14)8(10,11)12)4-5-2-3-6(9)15-5/h2-3H,4H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 257.66 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 62491611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).