ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate

C11H19FO2 — CID 174843996

IUPACethyl 2-(2-fluoro-5-methylcyclohexyl)acetate
SMILESCCOC(=O)CC1CC(C)CCC1F
InChIInChI=1S/C11H19FO2/c1-3-14-11(13)7-9-6-8(2)4-5-10(9)12/h8-10H,3-7H2,1-2H3
InChIKeyYMGHJSMHFJGHBY-UHFFFAOYSA-N
MW202.27 g/mol
LogP2.71
Rot. Bonds3

About ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate

ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate (PubChem CID 174843996) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-fluoro-5-methylcyclohexyl)acetate
PubChem CID174843996
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Nameethyl 2-(2-fluoro-5-methylcyclohexyl)acetate
SMILESCCOC(=O)CC1CC(C)CCC1F
InChIInChI=1S/C11H19FO2/c1-3-14-11(13)7-9-6-8(2)4-5-10(9)12/h8-10H,3-7H2,1-2H3
InChIKeyYMGHJSMHFJGHBY-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
CID 171935476
ethyl 2-[(1R,2S)-2-hydroxy-3-methylcyclobutyl]acetate
CID 100980301
ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide
CID 134280659
ethyl 2-[(3S,4R)-4-(2-ethoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
CID 1382306
ethyl 3-[(1S,2S)-2-fluorocyclopropyl]-3-oxopropanoate
CID 117058558
ethyl 2-(2-methyloxolan-3-yl)acetate
CID 118541290
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
ethyl 2-[(1R,6R)-6-(2-ethoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
CID 11097129
ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate
CID 129410961
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate
CID 58566598
ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate
CID 173489145

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate?
The IUPAC name of ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate (CID 174843996) is ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate.
What is the SMILES notation for ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate?
The canonical SMILES for ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate is CCOC(=O)CC1CC(C)CCC1F.
What is the InChIKey of ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate?
The InChIKey is YMGHJSMHFJGHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-3-14-11(13)7-9-6-8(2)4-5-10(9)12/h8-10H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate?
ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate has a molecular weight of 202.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate is sourced from PubChem (CID 174843996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).