[2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane

C22H29F6O2P — CID 150790120

IUPAC[2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane
SMILESFC(F)(F)COc1cc(OCC(F)(F)F)c(C2CCCCC2)c(P)c1C1CCCCC1
InChIInChI=1S/C22H29F6O2P/c23-21(24,25)12-29-16-11-17(30-13-22(26,27)28)19(15-9-5-2-6-10-15)20(31)18(16)14-7-3-1-4-8-14/h11,14-15H,1-10,12-13,31H2
InChIKeyKDRIIICGXJQIRF-UHFFFAOYSA-N
MW470.43 g/mol
LogP7.16
Rot. Bonds6

About [2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane

[2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane (PubChem CID 150790120) has the molecular formula C22H29F6O2P and a molecular weight of 470.43 g/mol. Its IUPAC name is [2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane.

Molecular Properties

Compound Name[2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane
PubChem CID150790120
Molecular FormulaC22H29F6O2P
Molecular Weight470.43 g/mol
Exact Mass470.18
IUPAC Name[2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane
SMILESFC(F)(F)COc1cc(OCC(F)(F)F)c(C2CCCCC2)c(P)c1C1CCCCC1
InChIInChI=1S/C22H29F6O2P/c23-21(24,25)12-29-16-11-17(30-13-22(26,27)28)19(15-9-5-2-6-10-15)20(31)18(16)14-7-3-1-4-8-14/h11,14-15H,1-10,12-13,31H2
InChIKeyKDRIIICGXJQIRF-UHFFFAOYSA-N
XLogP7.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.43
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane?
The IUPAC name of [2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane (CID 150790120) is [2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane.
What is the SMILES notation for [2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane?
The canonical SMILES for [2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane is FC(F)(F)COc1cc(OCC(F)(F)F)c(C2CCCCC2)c(P)c1C1CCCCC1.
What is the InChIKey of [2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane?
The InChIKey is KDRIIICGXJQIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F6O2P/c23-21(24,25)12-29-16-11-17(30-13-22(26,27)28)19(15-9-5-2-6-10-15)20(31)18(16)14-7-3-1-4-8-14/h11,14-15H,1-10,12-13,31H2.
What are the key properties of [2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane?
[2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane has a molecular weight of 470.43 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dicyclohexyl-3,5-bis(2,2,2-trifluoroethoxy)phenyl]phosphane is sourced from PubChem (CID 150790120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).