(1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane

C9H2F9P — CID 134333725

IUPAC(1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane
SMILESFc1c(F)c(P)c2c(c1F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C9H2F9P/c10-3-1-2(6(19)5(12)4(3)11)8(15,16)9(17,18)7(1,13)14/h19H2
InChIKeyKODRKGTZQNERLO-UHFFFAOYSA-N
MW312.07 g/mol
LogP3.44
Rot. Bonds

About (1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane

(1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane (PubChem CID 134333725) has the molecular formula C9H2F9P and a molecular weight of 312.07 g/mol. Its IUPAC name is (1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane.

Molecular Properties

Compound Name(1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane
PubChem CID134333725
Molecular FormulaC9H2F9P
Molecular Weight312.07 g/mol
Exact Mass311.98
IUPAC Name(1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane
SMILESFc1c(F)c(P)c2c(c1F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C9H2F9P/c10-3-1-2(6(19)5(12)4(3)11)8(15,16)9(17,18)7(1,13)14/h19H2
InChIKeyKODRKGTZQNERLO-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.07
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane?
The IUPAC name of (1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane (CID 134333725) is (1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane.
What is the SMILES notation for (1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane?
The canonical SMILES for (1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane is Fc1c(F)c(P)c2c(c1F)C(F)(F)C(F)(F)C2(F)F.
What is the InChIKey of (1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane?
The InChIKey is KODRKGTZQNERLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F9P/c10-3-1-2(6(19)5(12)4(3)11)8(15,16)9(17,18)7(1,13)14/h19H2.
What are the key properties of (1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane?
(1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane has a molecular weight of 312.07 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane is sourced from PubChem (CID 134333725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).