2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C15H24F3NO2 — CID 90554690

IUPAC2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CCCCC1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)11-19(13-6-8-21-9-7-13)14(20)10-12-4-2-1-3-5-12/h12-13H,1-11H2
InChIKeyPHHYFOPQIIITAJ-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.53
Rot. Bonds4

About 2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 90554690) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID90554690
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CCCCC1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)11-19(13-6-8-21-9-7-13)14(20)10-12-4-2-1-3-5-12/h12-13H,1-11H2
InChIKeyPHHYFOPQIIITAJ-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 90554690) is 2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1CCCCC1)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PHHYFOPQIIITAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2/c16-15(17,18)11-19(13-6-8-21-9-7-13)14(20)10-12-4-2-1-3-5-12/h12-13H,1-11H2.
What are the key properties of 2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 307.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 90554690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).