N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide

C11H16F3NO — CID 131052609

IUPACN-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(CNC(=O)C(F)(F)F)C1=CCCC1
InChIInChI=1S/C11H16F3NO/c1-10(2,8-5-3-4-6-8)7-15-9(16)11(12,13)14/h5H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeyHNFDEPXVMHEWHJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.80
Rot. Bonds3

About N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide

N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide (PubChem CID 131052609) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide
PubChem CID131052609
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(CNC(=O)C(F)(F)F)C1=CCCC1
InChIInChI=1S/C11H16F3NO/c1-10(2,8-5-3-4-6-8)7-15-9(16)11(12,13)14/h5H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeyHNFDEPXVMHEWHJ-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide
CID 162409361
N-(3,7-dimethyloct-6-enyl)-2,2,2-trifluoroacetamide
CID 12523880
N-[3-(4,7-dihydro-1-indanyl)propyl]-2,2,2-trifluoroacetamide
CID 22758132
N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 103843009
N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroacetamide
CID 107168155
N-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide
CID 130639993
3-bromo-N-[2-(cyclopenten-1-yl)-2-methylpropyl]prop-2-ynamide
CID 130698797

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide (CID 131052609) is N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide is CC(C)(CNC(=O)C(F)(F)F)C1=CCCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide?
The InChIKey is HNFDEPXVMHEWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-10(2,8-5-3-4-6-8)7-15-9(16)11(12,13)14/h5H,3-4,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide?
N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide has a molecular weight of 235.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 131052609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).