4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C15H26F3NO2 — CID 103857315

IUPAC4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CCO)CC(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO2/c1-2-3-4-12-5-7-13(8-6-12)14(21)19(9-10-20)11-15(16,17)18/h12-13,20H,2-11H2,1H3
InChIKeyMNIRHXYNFARONU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.37
Rot. Bonds7

About 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 103857315) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID103857315
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC Name4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CCO)CC(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO2/c1-2-3-4-12-5-7-13(8-6-12)14(21)19(9-10-20)11-15(16,17)18/h12-13,20H,2-11H2,1H3
InChIKeyMNIRHXYNFARONU-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 103857315) is 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)N(CCO)CC(F)(F)F)CC1.
What is the InChIKey of 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is MNIRHXYNFARONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-2-3-4-12-5-7-13(8-6-12)14(21)19(9-10-20)11-15(16,17)18/h12-13,20H,2-11H2,1H3.
What are the key properties of 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103857315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).