N-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide

C15H12ClF6NO — CID 162537558

IUPACN-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1c(Cl)ccc(C(F)(F)F)c1C1C=CCCC1)C(F)(F)F
InChIInChI=1S/C15H12ClF6NO/c16-10-7-6-9(14(17,18)19)11(8-4-2-1-3-5-8)12(10)23-13(24)15(20,21)22/h2,4,6-8H,1,3,5H2,(H,23,24)
InChIKeyMZKHUOHWYPXFKK-UHFFFAOYSA-N
MW371.71 g/mol
LogP5.68
Rot. Bonds2

About N-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide

N-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 162537558) has the molecular formula C15H12ClF6NO and a molecular weight of 371.71 g/mol. Its IUPAC name is N-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID162537558
Molecular FormulaC15H12ClF6NO
Molecular Weight371.71 g/mol
Exact Mass371.05
IUPAC NameN-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1c(Cl)ccc(C(F)(F)F)c1C1C=CCCC1)C(F)(F)F
InChIInChI=1S/C15H12ClF6NO/c16-10-7-6-9(14(17,18)19)11(8-4-2-1-3-5-8)12(10)23-13(24)15(20,21)22/h2,4,6-8H,1,3,5H2,(H,23,24)
InChIKeyMZKHUOHWYPXFKK-UHFFFAOYSA-N
XLogP5.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.71
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide
CID 56513242
N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 11140927
N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 19958570
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-[2-(bromomethyl)-6-chlorophenyl]-2,2,2-trifluoroacetamide
CID 130764051
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813361
(2R)-N-[2-chloro-6-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 28951007
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065446
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propanamide
CID 62834505
trans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733047
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108515809

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide (CID 162537558) is N-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1c(Cl)ccc(C(F)(F)F)c1C1C=CCCC1)C(F)(F)F.
What is the InChIKey of N-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is MZKHUOHWYPXFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF6NO/c16-10-7-6-9(14(17,18)19)11(8-4-2-1-3-5-8)12(10)23-13(24)15(20,21)22/h2,4,6-8H,1,3,5H2,(H,23,24).
What are the key properties of N-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
N-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 371.71 g/mol, XLogP of 5.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-cyclohex-2-en-1-yl-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 162537558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).