4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid

C7H9FO3 — CID 68716919

IUPAC4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1(O)CC=C(F)CC1
InChIInChI=1S/C7H9FO3/c8-5-1-3-7(11,4-2-5)6(9)10/h1,11H,2-4H2,(H,9,10)
InChIKeyYSQWAIHCXUUTSQ-UHFFFAOYSA-N
MW160.14 g/mol
LogP0.84
Rot. Bonds1

About 4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid

4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid (PubChem CID 68716919) has the molecular formula C7H9FO3 and a molecular weight of 160.14 g/mol. Its IUPAC name is 4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid
PubChem CID68716919
Molecular FormulaC7H9FO3
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1(O)CC=C(F)CC1
InChIInChI=1S/C7H9FO3/c8-5-1-3-7(11,4-2-5)6(9)10/h1,11H,2-4H2,(H,9,10)
InChIKeyYSQWAIHCXUUTSQ-UHFFFAOYSA-N
XLogP0.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid (CID 68716919) is 4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid is O=C(O)C1(O)CC=C(F)CC1.
What is the InChIKey of 4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid?
The InChIKey is YSQWAIHCXUUTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO3/c8-5-1-3-7(11,4-2-5)6(9)10/h1,11H,2-4H2,(H,9,10).
What are the key properties of 4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid?
4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid has a molecular weight of 160.14 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-hydroxycyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 68716919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).