4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide

C14H24F3NO2 — CID 103857321

IUPAC4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESO=C(CCCC1CCCCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C14H24F3NO2/c15-14(16,17)11-18(9-10-19)13(20)8-4-7-12-5-2-1-3-6-12/h12,19H,1-11H2
InChIKeyMZSZBEMKNIXYBO-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.12
Rot. Bonds7

About 4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide

4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103857321) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103857321
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESO=C(CCCC1CCCCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C14H24F3NO2/c15-14(16,17)11-18(9-10-19)13(20)8-4-7-12-5-2-1-3-6-12/h12,19H,1-11H2
InChIKeyMZSZBEMKNIXYBO-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide (CID 103857321) is 4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide is O=C(CCCC1CCCCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of 4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is MZSZBEMKNIXYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c15-14(16,17)11-18(9-10-19)13(20)8-4-7-12-5-2-1-3-6-12/h12,19H,1-11H2.
What are the key properties of 4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 295.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103857321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).