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

C11H18F3NO2 — CID 103857282

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)8-15(6-7-16)10(17)9-4-2-1-3-5-9/h9,16H,1-8H2
InChIKeyIZYSNWHPKCUYJH-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.95
Rot. Bonds4

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

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide (PubChem CID 103857282) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
PubChem CID103857282
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)8-15(6-7-16)10(17)9-4-2-1-3-5-9/h9,16H,1-8H2
InChIKeyIZYSNWHPKCUYJH-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide (CID 103857282) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide is O=C(C1CCCCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The InChIKey is IZYSNWHPKCUYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)8-15(6-7-16)10(17)9-4-2-1-3-5-9/h9,16H,1-8H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide has a molecular weight of 253.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide is sourced from PubChem (CID 103857282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).