N-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide

C9H15ClF3NO — CID 107205621

IUPACN-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(CCCCCCl)C(=O)CC(F)(F)F
InChIInChI=1S/C9H15ClF3NO/c1-14(6-4-2-3-5-10)8(15)7-9(11,12)13/h2-7H2,1H3
InChIKeyVJZXVERJTKQQBO-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.81
Rot. Bonds6

About N-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide

N-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 107205621) has the molecular formula C9H15ClF3NO and a molecular weight of 245.67 g/mol. Its IUPAC name is N-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide
PubChem CID107205621
Molecular FormulaC9H15ClF3NO
Molecular Weight245.67 g/mol
Exact Mass245.08
IUPAC NameN-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(CCCCCCl)C(=O)CC(F)(F)F
InChIInChI=1S/C9H15ClF3NO/c1-14(6-4-2-3-5-10)8(15)7-9(11,12)13/h2-7H2,1H3
InChIKeyVJZXVERJTKQQBO-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide
CID 107205672
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide
CID 107205755
N-(5-aminopentyl)-4,4,4-trifluoro-N-methylbutanamide
CID 107206525
N-(5-chloropentyl)-N-methyl-2-propylpentanamide
CID 107205571
N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide
CID 107205870
N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 107205663
12-chloro-N,N-dimethyldodecan-1-amine
CID 71338336
5-chloro-N-(2-methoxyethyl)-N-methylpentanamide
CID 61040707
N-(5-chloropentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107205733
N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide
CID 107205486
3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107198834
2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 58971605

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide?
The IUPAC name of N-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide (CID 107205621) is N-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide.
What is the SMILES notation for N-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide?
The canonical SMILES for N-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide is CN(CCCCCCl)C(=O)CC(F)(F)F.
What is the InChIKey of N-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide?
The InChIKey is VJZXVERJTKQQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO/c1-14(6-4-2-3-5-10)8(15)7-9(11,12)13/h2-7H2,1H3.
What are the key properties of N-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide?
N-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 245.67 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 107205621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).