(2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane

C11H19F4IP2 — CID 170407261

IUPAC(2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane
SMILESCCCC1(P)CC(F)(F)C(C)(C)C(F)(F)C1(P)I
InChIInChI=1S/C11H19F4IP2/c1-4-5-8(17)6-9(12,13)7(2,3)10(14,15)11(8,16)18/h4-6,17-18H2,1-3H3
InChIKeyULWCEVCKMDCXKF-UHFFFAOYSA-N
MW416.12 g/mol
LogP5.11
Rot. Bonds2

About (2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane

(2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane (PubChem CID 170407261) has the molecular formula C11H19F4IP2 and a molecular weight of 416.12 g/mol. Its IUPAC name is (2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane.

Molecular Properties

Compound Name(2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane
PubChem CID170407261
Molecular FormulaC11H19F4IP2
Molecular Weight416.12 g/mol
Exact Mass415.99
IUPAC Name(2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane
SMILESCCCC1(P)CC(F)(F)C(C)(C)C(F)(F)C1(P)I
InChIInChI=1S/C11H19F4IP2/c1-4-5-8(17)6-9(12,13)7(2,3)10(14,15)11(8,16)18/h4-6,17-18H2,1-3H3
InChIKeyULWCEVCKMDCXKF-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.12
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane?
The IUPAC name of (2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane (CID 170407261) is (2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane.
What is the SMILES notation for (2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane?
The canonical SMILES for (2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane is CCCC1(P)CC(F)(F)C(C)(C)C(F)(F)C1(P)I.
What is the InChIKey of (2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane?
The InChIKey is ULWCEVCKMDCXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4IP2/c1-4-5-8(17)6-9(12,13)7(2,3)10(14,15)11(8,16)18/h4-6,17-18H2,1-3H3.
What are the key properties of (2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane?
(2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane has a molecular weight of 416.12 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane is sourced from PubChem (CID 170407261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).