6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide

C14H25F3N2O2 — CID 43698419

IUPAC6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide
SMILESNCCCCCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c15-14(16,17)10-21-12-6-4-5-11(9-12)19-13(20)7-2-1-3-8-18/h11-12H,1-10,18H2,(H,19,20)
InChIKeyDAIBKPSQQRSFBM-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.51
Rot. Bonds8

About 6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide

6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide (PubChem CID 43698419) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide
PubChem CID43698419
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide
SMILESNCCCCCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c15-14(16,17)10-21-12-6-4-5-11(9-12)19-13(20)7-2-1-3-8-18/h11-12H,1-10,18H2,(H,19,20)
InChIKeyDAIBKPSQQRSFBM-UHFFFAOYSA-N
XLogP2.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide?
The IUPAC name of 6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide (CID 43698419) is 6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide.
What is the SMILES notation for 6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide?
The canonical SMILES for 6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide is NCCCCCC(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide?
The InChIKey is DAIBKPSQQRSFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c15-14(16,17)10-21-12-6-4-5-11(9-12)19-13(20)7-2-1-3-8-18/h11-12H,1-10,18H2,(H,19,20).
What are the key properties of 6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide?
6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide has a molecular weight of 310.36 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide is sourced from PubChem (CID 43698419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).