methyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate

C15H25FO2 — CID 165474243

IUPACmethyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate
SMILESC=C(F)C1(CC(=O)OC)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H25FO2/c1-11(16)15(7-12(17)18-6)9-13(2,3)8-14(4,5)10-15/h1,7-10H2,2-6H3
InChIKeyFIYOOPNEBDMPGW-UHFFFAOYSA-N
MW256.36 g/mol
LogP4.26
Rot. Bonds3

About methyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate

methyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate (PubChem CID 165474243) has the molecular formula C15H25FO2 and a molecular weight of 256.36 g/mol. Its IUPAC name is methyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate
PubChem CID165474243
Molecular FormulaC15H25FO2
Molecular Weight256.36 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate
SMILESC=C(F)C1(CC(=O)OC)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H25FO2/c1-11(16)15(7-12(17)18-6)9-13(2,3)8-14(4,5)10-15/h1,7-10H2,2-6H3
InChIKeyFIYOOPNEBDMPGW-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 1-allylcyclohexanecarboxylate
CID 10932067
Cyclohexaneacetic acid, 1-ethenyl-, ethyl ester
CID 11535746
Ethyl 3-ethyl-4-methylidene-1-(2,2,2-trifluoroethyl)cyclohexane-1-carboxylate
CID 123375759
Methyl 8-fluoro-7,7-bis(fluoromethyl)-6-(oxomethylidene)octanoate
CID 141207077
Methyl 4-(fluoromethyl)-4-(1-hydroxyethenyl)cyclohexane-1-carboxylate
CID 144882284
Ethyl 1-ethyl-3-methylidenecyclohexane-1-carboxylate
CID 10375439
Methyl 1-but-3-enylcyclohexane-1-carboxylate
CID 14571769
Methyl 1-(2-methylprop-2-enyl)cyclohexane-1-carboxylate
CID 154710779
2-[1-(1-Fluoroethenyl)-3,3,5-trimethylcyclohexyl]acetic acid
CID 165474234
2-[1-(1-Fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid
CID 165474237
2-[1-(1-Fluoroethenyl)-3,4-dimethylcyclohexyl]acetic acid
CID 165474238
2-[1-(1-Fluoroethenyl)-4,4-dimethylcyclohexyl]acetic acid
CID 165474239

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate?
The IUPAC name of methyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate (CID 165474243) is methyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate.
What is the SMILES notation for methyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate?
The canonical SMILES for methyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate is C=C(F)C1(CC(=O)OC)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of methyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate?
The InChIKey is FIYOOPNEBDMPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FO2/c1-11(16)15(7-12(17)18-6)9-13(2,3)8-14(4,5)10-15/h1,7-10H2,2-6H3.
What are the key properties of methyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate?
methyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate has a molecular weight of 256.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetate is sourced from PubChem (CID 165474243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).