N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide

C12H18F3NO — CID 158607990

IUPACN-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide
SMILESCC(=O)NC1C=C(C(F)(F)F)CC(C)[C@H](C)C1
InChIInChI=1S/C12H18F3NO/c1-7-4-10(12(13,14)15)6-11(5-8(7)2)16-9(3)17/h6-8,11H,4-5H2,1-3H3,(H,16,17)/t7?,8-,11?/m1/s1
InChIKeyHWLYTJSKISVAQC-JKDSDDBFSA-N
MW249.28 g/mol
LogP3.05
Rot. Bonds1

About N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide

N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide (PubChem CID 158607990) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide
PubChem CID158607990
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC NameN-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide
SMILESCC(=O)NC1C=C(C(F)(F)F)CC(C)[C@H](C)C1
InChIInChI=1S/C12H18F3NO/c1-7-4-10(12(13,14)15)6-11(5-8(7)2)16-9(3)17/h6-8,11H,4-5H2,1-3H3,(H,16,17)/t7?,8-,11?/m1/s1
InChIKeyHWLYTJSKISVAQC-JKDSDDBFSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide?
The IUPAC name of N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide (CID 158607990) is N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide.
What is the SMILES notation for N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide?
The canonical SMILES for N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide is CC(=O)NC1C=C(C(F)(F)F)CC(C)[C@H](C)C1.
What is the InChIKey of N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide?
The InChIKey is HWLYTJSKISVAQC-JKDSDDBFSA-N. The full InChI is InChI=1S/C12H18F3NO/c1-7-4-10(12(13,14)15)6-11(5-8(7)2)16-9(3)17/h6-8,11H,4-5H2,1-3H3,(H,16,17)/t7?,8-,11?/m1/s1.
What are the key properties of N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide?
N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide has a molecular weight of 249.28 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide is sourced from PubChem (CID 158607990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).