N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide

C11H17F3N2O2 — CID 108537602

IUPACN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide
SMILESO=C(NCCNC(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(18)16-7-6-15-9(17)8-4-2-1-3-5-8/h8H,1-7H2,(H,15,17)(H,16,18)
InChIKeyYWEUUJYZMLVRQD-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.36
Rot. Bonds4

About N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide

N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide (PubChem CID 108537602) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide
PubChem CID108537602
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC NameN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide
SMILESO=C(NCCNC(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(18)16-7-6-15-9(17)8-4-2-1-3-5-8/h8H,1-7H2,(H,15,17)(H,16,18)
InChIKeyYWEUUJYZMLVRQD-UHFFFAOYSA-N
XLogP1.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide
CID 108571121
N-propylcyclooctanecarboxamide
CID 65022755
N-(2-cyclopentylethyl)cyclopentanecarboxamide
CID 110874283
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
CID 153313338
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
N-(3-bromopropyl)cyclopentanecarboxamide
CID 43133630
N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 580958

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide (CID 108537602) is N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide is O=C(NCCNC(=O)C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide?
The InChIKey is YWEUUJYZMLVRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)10(18)16-7-6-15-9(17)8-4-2-1-3-5-8/h8H,1-7H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide?
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide has a molecular weight of 266.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 108537602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).