N-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H17ClF3NO2 — CID 106157243

IUPACN-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CCl)CCCNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H17ClF3NO2/c1-8(5-11)3-2-4-15-9(16)6-17-7-10(12,13)14/h8H,2-7H2,1H3,(H,15,16)
InChIKeyDKFBFGAKFRQKEM-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.34
Rot. Bonds8

About N-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 106157243) has the molecular formula C10H17ClF3NO2 and a molecular weight of 275.70 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID106157243
Molecular FormulaC10H17ClF3NO2
Molecular Weight275.70 g/mol
Exact Mass275.09
IUPAC NameN-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CCl)CCCNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H17ClF3NO2/c1-8(5-11)3-2-4-15-9(16)6-17-7-10(12,13)14/h8H,2-7H2,1H3,(H,15,16)
InChIKeyDKFBFGAKFRQKEM-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 106157243) is N-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(CCl)CCCNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is DKFBFGAKFRQKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO2/c1-8(5-11)3-2-4-15-9(16)6-17-7-10(12,13)14/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of N-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 275.70 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 106157243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).