N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide

C9H14F3NO2 — CID 139444161

IUPACN-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-6(14)13-7-2-4-8(15,5-3-7)9(10,11)12/h7,15H,2-5H2,1H3,(H,13,14)
InChIKeyHRGLUHARONIMIX-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.36
Rot. Bonds1

About N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide

N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 139444161) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID139444161
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-6(14)13-7-2-4-8(15,5-3-7)9(10,11)12/h7,15H,2-5H2,1H3,(H,13,14)
InChIKeyHRGLUHARONIMIX-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide (CID 139444161) is N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide is CC(=O)NC1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is HRGLUHARONIMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-6(14)13-7-2-4-8(15,5-3-7)9(10,11)12/h7,15H,2-5H2,1H3,(H,13,14).
What are the key properties of N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide?
N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 139444161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).