difluoro-tri(propan-2-yl)-lambda5-phosphane

C9H21F2P — CID 12755172

IUPACdifluoro-tri(propan-2-yl)-lambda5-phosphane
SMILESCC(C)P(F)(F)(C(C)C)C(C)C
InChIInChI=1S/C9H21F2P/c1-7(2)12(10,11,8(3)4)9(5)6/h7-9H,1-6H3
InChIKeyHIRNCQUPLSMOMF-UHFFFAOYSA-N
MW198.24 g/mol
LogP4.53
Rot. Bonds3

About difluoro-tri(propan-2-yl)-lambda5-phosphane

difluoro-tri(propan-2-yl)-lambda5-phosphane (PubChem CID 12755172) has the molecular formula C9H21F2P and a molecular weight of 198.24 g/mol. Its IUPAC name is difluoro-tri(propan-2-yl)-lambda5-phosphane.

Molecular Properties

Compound Namedifluoro-tri(propan-2-yl)-lambda5-phosphane
PubChem CID12755172
Molecular FormulaC9H21F2P
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Namedifluoro-tri(propan-2-yl)-lambda5-phosphane
SMILESCC(C)P(F)(F)(C(C)C)C(C)C
InChIInChI=1S/C9H21F2P/c1-7(2)12(10,11,8(3)4)9(5)6/h7-9H,1-6H3
InChIKeyHIRNCQUPLSMOMF-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 54.53
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 difluoro-tri(propan-2-yl)-lambda5-phosphane?
The IUPAC name of difluoro-tri(propan-2-yl)-lambda5-phosphane (CID 12755172) is difluoro-tri(propan-2-yl)-lambda5-phosphane.
What is the SMILES notation for difluoro-tri(propan-2-yl)-lambda5-phosphane?
The canonical SMILES for difluoro-tri(propan-2-yl)-lambda5-phosphane is CC(C)P(F)(F)(C(C)C)C(C)C.
What is the InChIKey of difluoro-tri(propan-2-yl)-lambda5-phosphane?
The InChIKey is HIRNCQUPLSMOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21F2P/c1-7(2)12(10,11,8(3)4)9(5)6/h7-9H,1-6H3.
What are the key properties of difluoro-tri(propan-2-yl)-lambda5-phosphane?
difluoro-tri(propan-2-yl)-lambda5-phosphane has a molecular weight of 198.24 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-tri(propan-2-yl)-lambda5-phosphane is sourced from PubChem (CID 12755172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).