[(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane

C27H34F2P2 — CID 175963525

IUPAC[(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane
SMILESC[C@H](C1C=CC=C1P(c1ccc(F)cc1)c1ccc(F)cc1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C27H34F2P2/c1-19(31(26(2,3)4)27(5,6)7)24-9-8-10-25(24)30(22-15-11-20(28)12-16-22)23-17-13-21(29)14-18-23/h8-19,24H,1-7H3/t19-,24?/m1/s1
InChIKeyAXTMBGFBHWYREY-PHSANKKPSA-N
MW458.51 g/mol
LogP7.93
Rot. Bonds5

About [(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane

[(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane (PubChem CID 175963525) has the molecular formula C27H34F2P2 and a molecular weight of 458.51 g/mol. Its IUPAC name is [(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane.

Molecular Properties

Compound Name[(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane
PubChem CID175963525
Molecular FormulaC27H34F2P2
Molecular Weight458.51 g/mol
Exact Mass458.21
IUPAC Name[(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane
SMILESC[C@H](C1C=CC=C1P(c1ccc(F)cc1)c1ccc(F)cc1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C27H34F2P2/c1-19(31(26(2,3)4)27(5,6)7)24-9-8-10-25(24)30(22-15-11-20(28)12-16-22)23-17-13-21(29)14-18-23/h8-19,24H,1-7H3/t19-,24?/m1/s1
InChIKeyAXTMBGFBHWYREY-PHSANKKPSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 57.93
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 [(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane?
The IUPAC name of [(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane (CID 175963525) is [(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane.
What is the SMILES notation for [(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane?
The canonical SMILES for [(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane is C[C@H](C1C=CC=C1P(c1ccc(F)cc1)c1ccc(F)cc1)P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of [(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane?
The InChIKey is AXTMBGFBHWYREY-PHSANKKPSA-N. The full InChI is InChI=1S/C27H34F2P2/c1-19(31(26(2,3)4)27(5,6)7)24-9-8-10-25(24)30(22-15-11-20(28)12-16-22)23-17-13-21(29)14-18-23/h8-19,24H,1-7H3/t19-,24?/m1/s1.
What are the key properties of [(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane?
[(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane has a molecular weight of 458.51 g/mol, XLogP of 7.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane is sourced from PubChem (CID 175963525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).