N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C12H20F3NO2 — CID 78887932

IUPACN-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCN(CCO)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-2-16(6-7-17)11(18)9-4-3-5-10(8-9)12(13,14)15/h9-10,17H,2-8H2,1H3
InChIKeyPILYUHDQHOCHOX-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.20
Rot. Bonds4

About N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 78887932) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID78887932
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCN(CCO)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-2-16(6-7-17)11(18)9-4-3-5-10(8-9)12(13,14)15/h9-10,17H,2-8H2,1H3
InChIKeyPILYUHDQHOCHOX-UHFFFAOYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 78887932) is N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CCN(CCO)C(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is PILYUHDQHOCHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-2-16(6-7-17)11(18)9-4-3-5-10(8-9)12(13,14)15/h9-10,17H,2-8H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 78887932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).