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

C10H18F3NO2 — CID 86990487

IUPACN-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)CCCNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-8(2)4-3-5-14-9(15)6-16-7-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyLMQBBXLHLVUDPO-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.12
Rot. Bonds7

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

N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86990487) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86990487
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)CCCNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-8(2)4-3-5-14-9(15)6-16-7-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyLMQBBXLHLVUDPO-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86990487) is N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)CCCNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is LMQBBXLHLVUDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-8(2)4-3-5-14-9(15)6-16-7-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 241.25 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86990487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).