2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid

C14H23FO2 — CID 165474237

IUPAC2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid
SMILESC=C(F)C1(CC(=O)O)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H23FO2/c1-10(15)14(6-11(16)17)8-12(2,3)7-13(4,5)9-14/h1,6-9H2,2-5H3,(H,16,17)
InChIKeyVGHLSYBRFNLSKZ-UHFFFAOYSA-N
MW242.33 g/mol
LogP4.17
Rot. Bonds3

About 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid

2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid (PubChem CID 165474237) has the molecular formula C14H23FO2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid
PubChem CID165474237
Molecular FormulaC14H23FO2
Molecular Weight242.33 g/mol
Exact Mass242.17
IUPAC Name2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid
SMILESC=C(F)C1(CC(=O)O)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H23FO2/c1-10(15)14(6-11(16)17)8-12(2,3)7-13(4,5)9-14/h1,6-9H2,2-5H3,(H,16,17)
InChIKeyVGHLSYBRFNLSKZ-UHFFFAOYSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid?
The IUPAC name of 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid (CID 165474237) is 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid is C=C(F)C1(CC(=O)O)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid?
The InChIKey is VGHLSYBRFNLSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO2/c1-10(15)14(6-11(16)17)8-12(2,3)7-13(4,5)9-14/h1,6-9H2,2-5H3,(H,16,17).
What are the key properties of 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid?
2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid has a molecular weight of 242.33 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-fluoroethenyl)-3,3,5,5-tetramethylcyclohexyl]acetic acid is sourced from PubChem (CID 165474237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).