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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Related Compounds

(1S)-N-but-2-ynyl-3,3-difluoro-N-methylcyclohexane-1-carboxamide
CID 125144320
3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide
CID 126794154
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide
CID 5008429
N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 5082888
Cyclohexanecarbonyl-dipropyl-(trifluoromethyl)azanium
CID 21738643
Cyclohexanecarbonyl-dipentyl-(trifluoromethyl)azanium
CID 54379583
(4,4-Difluorocyclohexyl)-piperidin-1-ylmethanone
CID 81932447
Cyclohexyl(4,4-difluoropiperidin-1-yl)methanone
CID 121020689
Cyclohexyl(3,3-difluoroazetidin-1-yl)methanone
CID 122269324
(4,4-Difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone
CID 128592492
2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide
CID 129022770
(4,4-Difluorocyclohexyl)-(3-fluoropyrrolidin-4-id-1-yl)methanone;yttrium
CID 153329504

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).