N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide

C12H18F3NO2 — CID 126821498

IUPACN-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCCCC1OCC(F)(F)F
InChIInChI=1S/C12H18F3NO2/c1-2-11(17)16-7-9-5-3-4-6-10(9)18-8-12(13,14)15/h2,9-10H,1,3-8H2,(H,16,17)
InChIKeyPHDVCMRSFBTCJL-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.43
Rot. Bonds5

About N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide

N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide (PubChem CID 126821498) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide
PubChem CID126821498
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC NameN-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCCCC1OCC(F)(F)F
InChIInChI=1S/C12H18F3NO2/c1-2-11(17)16-7-9-5-3-4-6-10(9)18-8-12(13,14)15/h2,9-10H,1,3-8H2,(H,16,17)
InChIKeyPHDVCMRSFBTCJL-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2,2-Difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide
CID 139017822
N-[4-(2-propylcyclohexyl)oxybutyl]prop-2-enamide
CID 20214022
N-[4-(cyclohexylmethoxy)butyl]prop-2-enamide
CID 20214495
N-[4-(2,5-dimethylcyclohexyl)oxybutyl]prop-2-enamide
CID 20214504
N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide
CID 64928923
N-[(2-Propan-2-yloxan-4-yl)methyl]prop-2-enamide
CID 137934719
N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]prop-2-enamide
CID 166414342
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide
CID 166414523

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide?
The IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide (CID 126821498) is N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide is C=CC(=O)NCC1CCCCC1OCC(F)(F)F.
What is the InChIKey of N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide?
The InChIKey is PHDVCMRSFBTCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c1-2-11(17)16-7-9-5-3-4-6-10(9)18-8-12(13,14)15/h2,9-10H,1,3-8H2,(H,16,17).
What are the key properties of N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide?
N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide has a molecular weight of 265.27 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]prop-2-enamide is sourced from PubChem (CID 126821498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).