ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide

C11H22FNO — CID 145029599

IUPACethane;2-(4-fluoro-4-methylcyclohexyl)acetamide
SMILESCC.CC1(F)CCC(CC(N)=O)CC1
InChIInChI=1S/C9H16FNO.C2H6/c1-9(10)4-2-7(3-5-9)6-8(11)12;1-2/h7H,2-6H2,1H3,(H2,11,12);1-2H3
InChIKeyOPLXEGIUAXHLKU-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.81
Rot. Bonds2

About ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide

ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide (PubChem CID 145029599) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Nameethane;2-(4-fluoro-4-methylcyclohexyl)acetamide
PubChem CID145029599
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Nameethane;2-(4-fluoro-4-methylcyclohexyl)acetamide
SMILESCC.CC1(F)CCC(CC(N)=O)CC1
InChIInChI=1S/C9H16FNO.C2H6/c1-9(10)4-2-7(3-5-9)6-8(11)12;1-2/h7H,2-6H2,1H3,(H2,11,12);1-2H3
InChIKeyOPLXEGIUAXHLKU-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-hydroxy-4-propan-2-ylcyclohexyl)acetamide
CID 58456192
2-(2-ethylspiro[3.5]nonan-7-yl)acetamide
CID 71244357
(4-fluoro-4-methylcyclohexyl)methanol
CID 84649094
2-cyclodecylacetamide
CID 150110792
2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 169091321
2-(4-fluoro-4-methylcyclohexyl)ethanamine
CID 84650939
N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide
CID 10013935
5-(4-fluoro-4-methylcyclohexyl)hexan-2-one
CID 166775882
ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride
CID 143101970
2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 66687478
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146890
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide?
The IUPAC name of ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide (CID 145029599) is ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide.
What is the SMILES notation for ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide?
The canonical SMILES for ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide is CC.CC1(F)CCC(CC(N)=O)CC1.
What is the InChIKey of ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide?
The InChIKey is OPLXEGIUAXHLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO.C2H6/c1-9(10)4-2-7(3-5-9)6-8(11)12;1-2/h7H,2-6H2,1H3,(H2,11,12);1-2H3.
What are the key properties of ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide?
ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide has a molecular weight of 203.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide is sourced from PubChem (CID 145029599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).