[1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane

C30H22F8O2P2 — CID 141062116

IUPAC[1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane
SMILESFc1cc(F)cc(P(OC2(OP(c3cc(F)cc(F)c3)c3cc(F)cc(F)c3)CCCCC2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C30H22F8O2P2/c31-18-6-19(32)11-26(10-18)41(27-12-20(33)7-21(34)13-27)39-30(4-2-1-3-5-30)40-42(28-14-22(35)8-23(36)15-28)29-16-24(37)9-25(38)17-29/h6-17H,1-5H2
InChIKeySGOMYKFQGWRCMW-UHFFFAOYSA-N
MW628.44 g/mol
LogP7.89
Rot. Bonds8

About [1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane

[1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane (PubChem CID 141062116) has the molecular formula C30H22F8O2P2 and a molecular weight of 628.44 g/mol. Its IUPAC name is [1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane.

Molecular Properties

Compound Name[1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane
PubChem CID141062116
Molecular FormulaC30H22F8O2P2
Molecular Weight628.44 g/mol
Exact Mass628.10
IUPAC Name[1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane
SMILESFc1cc(F)cc(P(OC2(OP(c3cc(F)cc(F)c3)c3cc(F)cc(F)c3)CCCCC2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C30H22F8O2P2/c31-18-6-19(32)11-26(10-18)41(27-12-20(33)7-21(34)13-27)39-30(4-2-1-3-5-30)40-42(28-14-22(35)8-23(36)15-28)29-16-24(37)9-25(38)17-29/h6-17H,1-5H2
InChIKeySGOMYKFQGWRCMW-UHFFFAOYSA-N
XLogP7.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.44
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane?
The IUPAC name of [1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane (CID 141062116) is [1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane.
What is the SMILES notation for [1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane?
The canonical SMILES for [1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane is Fc1cc(F)cc(P(OC2(OP(c3cc(F)cc(F)c3)c3cc(F)cc(F)c3)CCCCC2)c2cc(F)cc(F)c2)c1.
What is the InChIKey of [1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane?
The InChIKey is SGOMYKFQGWRCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F8O2P2/c31-18-6-19(32)11-26(10-18)41(27-12-20(33)7-21(34)13-27)39-30(4-2-1-3-5-30)40-42(28-14-22(35)8-23(36)15-28)29-16-24(37)9-25(38)17-29/h6-17H,1-5H2.
What are the key properties of [1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane?
[1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane has a molecular weight of 628.44 g/mol, XLogP of 7.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane is sourced from PubChem (CID 141062116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).