5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide

C12H19ClF3NO — CID 43701270

IUPAC5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
SMILESO=C(CCCCCl)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H19ClF3NO/c13-8-4-3-7-11(18)17-10-6-2-1-5-9(10)12(14,15)16/h9-10H,1-8H2,(H,17,18)
InChIKeyHXYPZDUPBXOUHV-UHFFFAOYSA-N
MW285.74 g/mol
LogP3.63
Rot. Bonds5

About 5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide

5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide (PubChem CID 43701270) has the molecular formula C12H19ClF3NO and a molecular weight of 285.74 g/mol. Its IUPAC name is 5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
PubChem CID43701270
Molecular FormulaC12H19ClF3NO
Molecular Weight285.74 g/mol
Exact Mass285.11
IUPAC Name5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
SMILESO=C(CCCCCl)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H19ClF3NO/c13-8-4-3-7-11(18)17-10-6-2-1-5-9(10)12(14,15)16/h9-10H,1-8H2,(H,17,18)
InChIKeyHXYPZDUPBXOUHV-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide?
The IUPAC name of 5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide (CID 43701270) is 5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide?
The canonical SMILES for 5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide is O=C(CCCCCl)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide?
The InChIKey is HXYPZDUPBXOUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClF3NO/c13-8-4-3-7-11(18)17-10-6-2-1-5-9(10)12(14,15)16/h9-10H,1-8H2,(H,17,18).
What are the key properties of 5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide?
5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide has a molecular weight of 285.74 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(trifluoromethyl)cyclohexyl]pentanamide is sourced from PubChem (CID 43701270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).