(2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane

C11H16FO3P — CID 122606424

IUPAC(2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane
SMILESC=P(O)(O)Oc1cccc(F)c1C(C)(C)C
InChIInChI=1S/C11H16FO3P/c1-11(2,3)10-8(12)6-5-7-9(10)15-16(4,13)14/h5-7,13-14H,4H2,1-3H3
InChIKeyGSSORKPRVJGXTP-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.68
Rot. Bonds2

About (2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane

(2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane (PubChem CID 122606424) has the molecular formula C11H16FO3P and a molecular weight of 246.22 g/mol. Its IUPAC name is (2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane.

Molecular Properties

Compound Name(2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane
PubChem CID122606424
Molecular FormulaC11H16FO3P
Molecular Weight246.22 g/mol
Exact Mass246.08
IUPAC Name(2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane
SMILESC=P(O)(O)Oc1cccc(F)c1C(C)(C)C
InChIInChI=1S/C11H16FO3P/c1-11(2,3)10-8(12)6-5-7-9(10)15-16(4,13)14/h5-7,13-14H,4H2,1-3H3
InChIKeyGSSORKPRVJGXTP-UHFFFAOYSA-N
XLogP2.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane?
The IUPAC name of (2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane (CID 122606424) is (2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane.
What is the SMILES notation for (2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane?
The canonical SMILES for (2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane is C=P(O)(O)Oc1cccc(F)c1C(C)(C)C.
What is the InChIKey of (2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane?
The InChIKey is GSSORKPRVJGXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FO3P/c1-11(2,3)10-8(12)6-5-7-9(10)15-16(4,13)14/h5-7,13-14H,4H2,1-3H3.
What are the key properties of (2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane?
(2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane has a molecular weight of 246.22 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane is sourced from PubChem (CID 122606424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).