2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide

C12H20F3NO2 — CID 154630327

IUPAC2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide
SMILESO=C(NCCC1CCC(CCO)CC1)C(F)(F)F
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)11(18)16-7-5-9-1-3-10(4-2-9)6-8-17/h9-10,17H,1-8H2,(H,16,18)
InChIKeyLAPPLSPSAOTKFR-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.24
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide (PubChem CID 154630327) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide
PubChem CID154630327
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide
SMILESO=C(NCCC1CCC(CCO)CC1)C(F)(F)F
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)11(18)16-7-5-9-1-3-10(4-2-9)6-8-17/h9-10,17H,1-8H2,(H,16,18)
InChIKeyLAPPLSPSAOTKFR-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide (CID 154630327) is 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide is O=C(NCCC1CCC(CCO)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide?
The InChIKey is LAPPLSPSAOTKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)11(18)16-7-5-9-1-3-10(4-2-9)6-8-17/h9-10,17H,1-8H2,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide has a molecular weight of 267.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide is sourced from PubChem (CID 154630327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).