N-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide

C12H18FNO2 — CID 11535937

IUPACN-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide
SMILESCC(=O)NC1(C)C(C)=CC(=O)C(C)(C)C1F
InChIInChI=1S/C12H18FNO2/c1-7-6-9(16)11(3,4)10(13)12(7,5)14-8(2)15/h6,10H,1-5H3,(H,14,15)
InChIKeySEGPMOFJOFBZMJ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.77
Rot. Bonds1

About N-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide

N-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide (PubChem CID 11535937) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide
PubChem CID11535937
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC NameN-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide
SMILESCC(=O)NC1(C)C(C)=CC(=O)C(C)(C)C1F
InChIInChI=1S/C12H18FNO2/c1-7-6-9(16)11(3,4)10(13)12(7,5)14-8(2)15/h6,10H,1-5H3,(H,14,15)
InChIKeySEGPMOFJOFBZMJ-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-N-(tert-butyl)-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 168720285
N-tert-butyl-2,2-difluoro-4-[(1S)-4-methyl-5-oxocyclohex-3-en-1-yl]pent-4-enamide
CID 170555188
N-[1-(5,5-Dimethyl-3-oxo-cyclohex-1-enyl)-vinyl]-acetamide
CID 34178854
(9aS)-9a-methyl-1,3,4,5,8,9-hexahydro-1-benzazepine-2,7-dione
CID 95003961
N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide
CID 15895941
N-tert-butyl-4,4-dimethylcyclopentene-1-carboxamide
CID 21726903
2-methyl-N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]propanamide
CID 73813234
(E)-N-[(Z)-2,3,3-trimethyl-5-oxodec-7-en-2-yl]but-2-enamide
CID 58348979
4-(2,2-dimethylpropanoyl)-3H-pyridine-2,6-dione
CID 58482923
3-Ethyl-4-methyl-1-azaspiro[4.5]dec-3-ene-2,8-dione
CID 70843699
N-[2-[(1S)-4-methyl-5-oxocyclohex-3-en-1-yl]propan-2-yl]acetamide
CID 21626577
2-methyl-N-[2-[(1S)-4-methyl-5-oxocyclohex-3-en-1-yl]propan-2-yl]propanamide
CID 21626580

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide?
The IUPAC name of N-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide (CID 11535937) is N-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide.
What is the SMILES notation for N-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide?
The canonical SMILES for N-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide is CC(=O)NC1(C)C(C)=CC(=O)C(C)(C)C1F.
What is the InChIKey of N-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide?
The InChIKey is SEGPMOFJOFBZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-7-6-9(16)11(3,4)10(13)12(7,5)14-8(2)15/h6,10H,1-5H3,(H,14,15).
What are the key properties of N-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide?
N-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide has a molecular weight of 227.28 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,2,5,5-tetramethyl-4-oxocyclohex-2-en-1-yl)acetamide is sourced from PubChem (CID 11535937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).