N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide

C9H7ClF5NOS — CID 114038099

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7ClF5NOS/c1-16(4-5-2-3-6(10)18-5)7(17)8(11,12)9(13,14)15/h2-3H,4H2,1H3
InChIKeyMSRRHUZPJIAZKU-UHFFFAOYSA-N
MW307.67 g/mol
LogP3.56
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide

N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide (PubChem CID 114038099) has the molecular formula C9H7ClF5NOS and a molecular weight of 307.67 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide
PubChem CID114038099
Molecular FormulaC9H7ClF5NOS
Molecular Weight307.67 g/mol
Exact Mass306.99
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7ClF5NOS/c1-16(4-5-2-3-6(10)18-5)7(17)8(11,12)9(13,14)15/h2-3H,4H2,1H3
InChIKeyMSRRHUZPJIAZKU-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.67
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62491611
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide
CID 130639217
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 79013221
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
N-benzyl-2,2,3,3,3-pentafluoro-N-methylpropanamide
CID 91699922
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

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide (CID 114038099) is N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide is CN(Cc1ccc(Cl)s1)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide?
The InChIKey is MSRRHUZPJIAZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF5NOS/c1-16(4-5-2-3-6(10)18-5)7(17)8(11,12)9(13,14)15/h2-3H,4H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide?
N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide has a molecular weight of 307.67 g/mol, XLogP of 3.56, 3 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]-2,2,3,3,3-pentafluoro-N-methylpropanamide is sourced from PubChem (CID 114038099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).