(2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane

C20H32FO2P — CID 166718025

IUPAC(2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane
SMILESC=C(C)OP(F)Oc1c(C(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C20H32FO2P/c1-13(2)16-11-15(19(5,6)7)12-17(20(8,9)10)18(16)23-24(21)22-14(3)4/h11-13H,3H2,1-2,4-10H3
InChIKeyOEGMPYMSGMXRLC-UHFFFAOYSA-N
MW354.45 g/mol
LogP7.53
Rot. Bonds5

About (2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane

(2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane (PubChem CID 166718025) has the molecular formula C20H32FO2P and a molecular weight of 354.45 g/mol. Its IUPAC name is (2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane.

Molecular Properties

Compound Name(2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane
PubChem CID166718025
Molecular FormulaC20H32FO2P
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane
SMILESC=C(C)OP(F)Oc1c(C(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C20H32FO2P/c1-13(2)16-11-15(19(5,6)7)12-17(20(8,9)10)18(16)23-24(21)22-14(3)4/h11-13H,3H2,1-2,4-10H3
InChIKeyOEGMPYMSGMXRLC-UHFFFAOYSA-N
XLogP7.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane
CID 54348247
[2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenyl] 2-methylprop-2-enoate
CID 21290800
[4-tert-butyl-2,6-di(propan-2-yl)phenyl] acetate
CID 613069
bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine
CID 174939437
2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenol
CID 58798048
[2,4-ditert-butyl-6-[1-[5-tert-butyl-2-hydroxy-3-(2-methylpropyl)phenyl]ethyl]phenyl] prop-2-enoate
CID 58003300
dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane
CID 162081075
dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane
CID 101416642
[2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenoxy]-fluorophosphinous acid
CID 22998694
2-(5-tert-butyl-3-propan-2-yl-2-prop-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 143986527
bis(3,6,8-tritert-butylnaphthalen-2-yl)methyl dihydrogen phosphite
CID 18629588
1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene
CID 159607362

Frequently Asked Questions

What is the IUPAC name of (2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane?
The IUPAC name of (2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane (CID 166718025) is (2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane.
What is the SMILES notation for (2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane?
The canonical SMILES for (2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane is C=C(C)OP(F)Oc1c(C(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of (2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane?
The InChIKey is OEGMPYMSGMXRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FO2P/c1-13(2)16-11-15(19(5,6)7)12-17(20(8,9)10)18(16)23-24(21)22-14(3)4/h11-13H,3H2,1-2,4-10H3.
What are the key properties of (2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane?
(2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane has a molecular weight of 354.45 g/mol, XLogP of 7.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane is sourced from PubChem (CID 166718025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).