cyclohex-2-en-1-yloxy(fluoro)phosphinic acid

C6H10FO3P — CID 178182479

IUPACcyclohex-2-en-1-yloxy(fluoro)phosphinic acid
SMILESO=P(O)(F)OC1C=CCCC1
InChIInChI=1S/C6H10FO3P/c7-11(8,9)10-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H,8,9)
InChIKeyYTLVZMVVUPRKDN-UHFFFAOYSA-N
MW180.11 g/mol
LogP2.18
Rot. Bonds2

About cyclohex-2-en-1-yloxy(fluoro)phosphinic acid

cyclohex-2-en-1-yloxy(fluoro)phosphinic acid (PubChem CID 178182479) has the molecular formula C6H10FO3P and a molecular weight of 180.11 g/mol. Its IUPAC name is cyclohex-2-en-1-yloxy(fluoro)phosphinic acid.

Molecular Properties

Compound Namecyclohex-2-en-1-yloxy(fluoro)phosphinic acid
PubChem CID178182479
Molecular FormulaC6H10FO3P
Molecular Weight180.11 g/mol
Exact Mass180.04
IUPAC Namecyclohex-2-en-1-yloxy(fluoro)phosphinic acid
SMILESO=P(O)(F)OC1C=CCCC1
InChIInChI=1S/C6H10FO3P/c7-11(8,9)10-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H,8,9)
InChIKeyYTLVZMVVUPRKDN-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.11
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yloxy(fluoro)phosphinic acid?
The IUPAC name of cyclohex-2-en-1-yloxy(fluoro)phosphinic acid (CID 178182479) is cyclohex-2-en-1-yloxy(fluoro)phosphinic acid.
What is the SMILES notation for cyclohex-2-en-1-yloxy(fluoro)phosphinic acid?
The canonical SMILES for cyclohex-2-en-1-yloxy(fluoro)phosphinic acid is O=P(O)(F)OC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yloxy(fluoro)phosphinic acid?
The InChIKey is YTLVZMVVUPRKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FO3P/c7-11(8,9)10-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H,8,9).
What are the key properties of cyclohex-2-en-1-yloxy(fluoro)phosphinic acid?
cyclohex-2-en-1-yloxy(fluoro)phosphinic acid has a molecular weight of 180.11 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yloxy(fluoro)phosphinic acid is sourced from PubChem (CID 178182479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).