tert-butyl-fluoro-phosphanylidyne-λ5-phosphane

C4H9FP2 — CID 89366840

IUPACtert-butyl-fluoro-phosphanylidyne-λ5-phosphane
SMILESCC(C)(C)P(F)#P
InChIInChI=1S/C4H9FP2/c1-4(2,3)7(5)6/h1-3H3
InChIKeyRXDPPCBWOTUBMZ-UHFFFAOYSA-N
MW138.06 g/mol
LogP3.48
Rot. Bonds

About tert-butyl-fluoro-phosphanylidyne-λ5-phosphane

tert-butyl-fluoro-phosphanylidyne-λ5-phosphane (PubChem CID 89366840) has the molecular formula C4H9FP2 and a molecular weight of 138.06 g/mol. Its IUPAC name is tert-butyl-fluoro-phosphanylidyne-λ5-phosphane.

Molecular Properties

Compound Nametert-butyl-fluoro-phosphanylidyne-λ5-phosphane
PubChem CID89366840
Molecular FormulaC4H9FP2
Molecular Weight138.06 g/mol
Exact Mass138.02
IUPAC Nametert-butyl-fluoro-phosphanylidyne-λ5-phosphane
SMILESCC(C)(C)P(F)#P
InChIInChI=1S/C4H9FP2/c1-4(2,3)7(5)6/h1-3H3
InChIKeyRXDPPCBWOTUBMZ-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.06
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-difluorophosphanylpropan-2-yl(difluoro)phosphane
CID 58308562
bis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride
CID 10211980
bis(ditert-butylphosphinous acid);palladium(2+);dichloride
CID 10228867
platinum;bis(tritert-butylphosphane)
CID 545169
N-[(tert-butylamino)-fluorophosphanyl]-2-methylpropan-2-amine
CID 23235602
1,1,1-trifluoroethane
CID 9868
(18F)fluoro-fluoro-methylphosphane
CID 58193764
1,1,1-trifluoroethane
CID 91327996
2,2-difluoropropane
CID 160894634
4,4-difluoropent-2-en-3-ol
CID 76589878
ethane;trifluoromethanol;zinc
CID 173121585
palladium;tritert-butylphosphane;bromide
CID 71317307

Frequently Asked Questions

What is the IUPAC name of tert-butyl-fluoro-phosphanylidyne-λ5-phosphane?
The IUPAC name of tert-butyl-fluoro-phosphanylidyne-λ5-phosphane (CID 89366840) is tert-butyl-fluoro-phosphanylidyne-λ5-phosphane.
What is the SMILES notation for tert-butyl-fluoro-phosphanylidyne-λ5-phosphane?
The canonical SMILES for tert-butyl-fluoro-phosphanylidyne-λ5-phosphane is CC(C)(C)P(F)#P.
What is the InChIKey of tert-butyl-fluoro-phosphanylidyne-λ5-phosphane?
The InChIKey is RXDPPCBWOTUBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FP2/c1-4(2,3)7(5)6/h1-3H3.
What are the key properties of tert-butyl-fluoro-phosphanylidyne-λ5-phosphane?
tert-butyl-fluoro-phosphanylidyne-λ5-phosphane has a molecular weight of 138.06 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-fluoro-phosphanylidyne-λ5-phosphane is sourced from PubChem (CID 89366840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).