N-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide

C15H25F4N3O — CID 174574502

IUPACN-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCC(=O)N(F)C1CCC(CCN2CCN(C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H25F4N3O/c1-12(23)22(19)14-4-2-13(3-5-14)6-7-20-8-10-21(11-9-20)15(16,17)18/h13-14H,2-11H2,1H3
InChIKeyXGZBCKBJEZAFIC-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.81
Rot. Bonds4

About N-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide

N-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide (PubChem CID 174574502) has the molecular formula C15H25F4N3O and a molecular weight of 339.38 g/mol. Its IUPAC name is N-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
PubChem CID174574502
Molecular FormulaC15H25F4N3O
Molecular Weight339.38 g/mol
Exact Mass339.19
IUPAC NameN-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCC(=O)N(F)C1CCC(CCN2CCN(C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H25F4N3O/c1-12(23)22(19)14-4-2-13(3-5-14)6-7-20-8-10-21(11-9-20)15(16,17)18/h13-14H,2-11H2,1H3
InChIKeyXGZBCKBJEZAFIC-UHFFFAOYSA-N
XLogP2.81
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of N-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide (CID 174574502) is N-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for N-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide is CC(=O)N(F)C1CCC(CCN2CCN(C(F)(F)F)CC2)CC1.
What is the InChIKey of N-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is XGZBCKBJEZAFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F4N3O/c1-12(23)22(19)14-4-2-13(3-5-14)6-7-20-8-10-21(11-9-20)15(16,17)18/h13-14H,2-11H2,1H3.
What are the key properties of N-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide?
N-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 339.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 174574502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).