N-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide

C10H14F3NO2 — CID 123534232

IUPACN-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
SMILESO=CN(CC(F)(F)F)C(=O)C1CCCCC1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)6-14(7-15)9(16)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyRIQMGPPPVOYZQF-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.11
Rot. Bonds3

About N-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide

N-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide (PubChem CID 123534232) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is N-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
PubChem CID123534232
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC NameN-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
SMILESO=CN(CC(F)(F)F)C(=O)C1CCCCC1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)6-14(7-15)9(16)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyRIQMGPPPVOYZQF-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The IUPAC name of N-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide (CID 123534232) is N-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The canonical SMILES for N-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide is O=CN(CC(F)(F)F)C(=O)C1CCCCC1.
What is the InChIKey of N-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The InChIKey is RIQMGPPPVOYZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c11-10(12,13)6-14(7-15)9(16)8-4-2-1-3-5-8/h7-8H,1-6H2.
What are the key properties of N-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
N-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide has a molecular weight of 237.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide is sourced from PubChem (CID 123534232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).