ditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane

C17H26FP — CID 118536238

IUPACditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane
SMILESCC(C)(C)P(C=CCc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C17H26FP/c1-16(2,3)19(17(4,5)6)13-7-8-14-9-11-15(18)12-10-14/h7,9-13H,8H2,1-6H3
InChIKeyRZPAQQRBUISLGR-UHFFFAOYSA-N
MW280.37 g/mol
LogP5.96
Rot. Bonds3

About ditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane

ditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane (PubChem CID 118536238) has the molecular formula C17H26FP and a molecular weight of 280.37 g/mol. Its IUPAC name is ditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane
PubChem CID118536238
Molecular FormulaC17H26FP
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane
SMILESCC(C)(C)P(C=CCc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C17H26FP/c1-16(2,3)19(17(4,5)6)13-7-8-14-9-11-15(18)12-10-14/h7,9-13H,8H2,1-6H3
InChIKeyRZPAQQRBUISLGR-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.37
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane?
The IUPAC name of ditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane (CID 118536238) is ditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane.
What is the SMILES notation for ditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane?
The canonical SMILES for ditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane is CC(C)(C)P(C=CCc1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of ditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane?
The InChIKey is RZPAQQRBUISLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FP/c1-16(2,3)19(17(4,5)6)13-7-8-14-9-11-15(18)12-10-14/h7,9-13H,8H2,1-6H3.
What are the key properties of ditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane?
ditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane has a molecular weight of 280.37 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane is sourced from PubChem (CID 118536238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).