2-fluoro-3-hydroxycyclohex-2-en-1-one

C6H7FO2 — CID 10844410

IUPAC2-fluoro-3-hydroxycyclohex-2-en-1-one
SMILESO=C1CCCC(O)=C1F
InChIInChI=1S/C6H7FO2/c7-6-4(8)2-1-3-5(6)9/h8H,1-3H2
InChIKeyYQFCKOVKRFVTAQ-UHFFFAOYSA-N
MW130.12 g/mol
LogP1.48
Rot. Bonds

About 2-fluoro-3-hydroxycyclohex-2-en-1-one

2-fluoro-3-hydroxycyclohex-2-en-1-one (PubChem CID 10844410) has the molecular formula C6H7FO2 and a molecular weight of 130.12 g/mol. Its IUPAC name is 2-fluoro-3-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2-fluoro-3-hydroxycyclohex-2-en-1-one
PubChem CID10844410
Molecular FormulaC6H7FO2
Molecular Weight130.12 g/mol
Exact Mass130.04
IUPAC Name2-fluoro-3-hydroxycyclohex-2-en-1-one
SMILESO=C1CCCC(O)=C1F
InChIInChI=1S/C6H7FO2/c7-6-4(8)2-1-3-5(6)9/h8H,1-3H2
InChIKeyYQFCKOVKRFVTAQ-UHFFFAOYSA-N
XLogP1.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxycyclohex-2-en-1-one?
The IUPAC name of 2-fluoro-3-hydroxycyclohex-2-en-1-one (CID 10844410) is 2-fluoro-3-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for 2-fluoro-3-hydroxycyclohex-2-en-1-one?
The canonical SMILES for 2-fluoro-3-hydroxycyclohex-2-en-1-one is O=C1CCCC(O)=C1F.
What is the InChIKey of 2-fluoro-3-hydroxycyclohex-2-en-1-one?
The InChIKey is YQFCKOVKRFVTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FO2/c7-6-4(8)2-1-3-5(6)9/h8H,1-3H2.
What are the key properties of 2-fluoro-3-hydroxycyclohex-2-en-1-one?
2-fluoro-3-hydroxycyclohex-2-en-1-one has a molecular weight of 130.12 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 10844410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).