N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide

C12H20F3NO2 — CID 56784198

IUPACN-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC1(CNC(=O)CCOCC(F)(F)F)CCCC1
InChIInChI=1S/C12H20F3NO2/c1-11(5-2-3-6-11)8-16-10(17)4-7-18-9-12(13,14)15/h2-9H2,1H3,(H,16,17)
InChIKeyJFEGQPDCRAMGHE-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.65
Rot. Bonds6

About N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 56784198) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID56784198
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC1(CNC(=O)CCOCC(F)(F)F)CCCC1
InChIInChI=1S/C12H20F3NO2/c1-11(5-2-3-6-11)8-16-10(17)4-7-18-9-12(13,14)15/h2-9H2,1H3,(H,16,17)
InChIKeyJFEGQPDCRAMGHE-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.65
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-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 56784198) is N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is CC1(CNC(=O)CCOCC(F)(F)F)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is JFEGQPDCRAMGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-11(5-2-3-6-11)8-16-10(17)4-7-18-9-12(13,14)15/h2-9H2,1H3,(H,16,17).
What are the key properties of N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 267.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 56784198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).