5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide

C12H20F3NO2 — CID 79199055

IUPAC5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide
SMILESO=C(CCCCO)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)9-4-3-5-10(8-9)16-11(18)6-1-2-7-17/h9-10,17H,1-8H2,(H,16,18)
InChIKeySQIDSDGMWRAVOQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.39
Rot. Bonds5

About 5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide

5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide (PubChem CID 79199055) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide
PubChem CID79199055
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide
SMILESO=C(CCCCO)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)9-4-3-5-10(8-9)16-11(18)6-1-2-7-17/h9-10,17H,1-8H2,(H,16,18)
InChIKeySQIDSDGMWRAVOQ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide (CID 79199055) is 5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide is O=C(CCCCO)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide?
The InChIKey is SQIDSDGMWRAVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)9-4-3-5-10(8-9)16-11(18)6-1-2-7-17/h9-10,17H,1-8H2,(H,16,18).
What are the key properties of 5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide?
5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide has a molecular weight of 267.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide is sourced from PubChem (CID 79199055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).