acetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene

C17H29FO2 — CID 90332008

IUPACacetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene
SMILESCC(=O)O.CC1/C=C(\F)C2C(CC2(C)C)C(C)CCC1
InChIInChI=1S/C15H25F.C2H4O2/c1-10-6-5-7-11(2)12-9-15(3,4)14(12)13(16)8-10;1-2(3)4/h8,10-12,14H,5-7,9H2,1-4H3;1H3,(H,3,4)/b13-8-;
InChIKeyRJGHQECJJNYQGF-MGAWDJABSA-N
MW284.41 g/mol
LogP5.05
Rot. Bonds

About acetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene

acetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene (PubChem CID 90332008) has the molecular formula C17H29FO2 and a molecular weight of 284.41 g/mol. Its IUPAC name is acetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene.

Molecular Properties

Compound Nameacetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene
PubChem CID90332008
Molecular FormulaC17H29FO2
Molecular Weight284.41 g/mol
Exact Mass284.22
IUPAC Nameacetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene
SMILESCC(=O)O.CC1/C=C(\F)C2C(CC2(C)C)C(C)CCC1
InChIInChI=1S/C15H25F.C2H4O2/c1-10-6-5-7-11(2)12-9-15(3,4)14(12)13(16)8-10;1-2(3)4/h8,10-12,14H,5-7,9H2,1-4H3;1H3,(H,3,4)/b13-8-;
InChIKeyRJGHQECJJNYQGF-MGAWDJABSA-N
XLogP5.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene?
The IUPAC name of acetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene (CID 90332008) is acetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene.
What is the SMILES notation for acetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene?
The canonical SMILES for acetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene is CC(=O)O.CC1/C=C(\F)C2C(CC2(C)C)C(C)CCC1.
What is the InChIKey of acetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene?
The InChIKey is RJGHQECJJNYQGF-MGAWDJABSA-N. The full InChI is InChI=1S/C15H25F.C2H4O2/c1-10-6-5-7-11(2)12-9-15(3,4)14(12)13(16)8-10;1-2(3)4/h8,10-12,14H,5-7,9H2,1-4H3;1H3,(H,3,4)/b13-8-;.
What are the key properties of acetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene?
acetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene has a molecular weight of 284.41 g/mol, XLogP of 5.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene is sourced from PubChem (CID 90332008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).