[3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane

C12H14FP — CID 156800692

IUPAC[3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane
SMILESCC(C)(C)C#Cc1cccc(P)c1F
InChIInChI=1S/C12H14FP/c1-12(2,3)8-7-9-5-4-6-10(14)11(9)13/h4-6H,14H2,1-3H3
InChIKeyQNVBZBWWOLBLOZ-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.72
Rot. Bonds

About [3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane

[3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane (PubChem CID 156800692) has the molecular formula C12H14FP and a molecular weight of 208.22 g/mol. Its IUPAC name is [3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane.

Molecular Properties

Compound Name[3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane
PubChem CID156800692
Molecular FormulaC12H14FP
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name[3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane
SMILESCC(C)(C)C#Cc1cccc(P)c1F
InChIInChI=1S/C12H14FP/c1-12(2,3)8-7-9-5-4-6-10(14)11(9)13/h4-6H,14H2,1-3H3
InChIKeyQNVBZBWWOLBLOZ-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane?
The IUPAC name of [3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane (CID 156800692) is [3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane.
What is the SMILES notation for [3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane?
The canonical SMILES for [3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane is CC(C)(C)C#Cc1cccc(P)c1F.
What is the InChIKey of [3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane?
The InChIKey is QNVBZBWWOLBLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FP/c1-12(2,3)8-7-9-5-4-6-10(14)11(9)13/h4-6H,14H2,1-3H3.
What are the key properties of [3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane?
[3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane has a molecular weight of 208.22 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]phosphane is sourced from PubChem (CID 156800692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).