bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane

C64H32F68P2 — CID 101192024

IUPACbis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1cccc(P(c2cccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)P(c2cccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)c2cccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)c1
InChIInChI=1S/C64H32F68P2/c65-33(66,37(73,74)41(81,82)45(89,90)49(97,98)53(105,106)57(113,114)61(121,122)123)17-13-25-5-1-9-29(21-25)133(30-10-2-6-26(22-30)14-18-34(67,68)38(75,76)42(83,84)46(91,92)50(99,100)54(107,108)58(115,116)62(124,125)126)134(31-11-3-7-27(23-31)15-19-35(69,70)39(77,78)43(85,86)47(93,94)51(101,102)55(109,110)59(117,118)63(127,128)129)32-12-4-8-28(24-32)16-20-36(71,72)40(79,80)44(87,88)48(95,96)52(103,104)56(111,112)60(119,120)64(130,131)132/h1-12,21-24H,13-20H2
InChIKeyIDMQCFALMKWWGJ-UHFFFAOYSA-N
MW2154.77 g/mol
LogP28.94
Rot. Bonds41

About bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane

bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane (PubChem CID 101192024) has the molecular formula C64H32F68P2 and a molecular weight of 2154.77 g/mol. Its IUPAC name is bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane.

Molecular Properties

Compound Namebis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane
PubChem CID101192024
Molecular FormulaC64H32F68P2
Molecular Weight2154.77 g/mol
Exact Mass2154.09
IUPAC Namebis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1cccc(P(c2cccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)P(c2cccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)c2cccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)c1
InChIInChI=1S/C64H32F68P2/c65-33(66,37(73,74)41(81,82)45(89,90)49(97,98)53(105,106)57(113,114)61(121,122)123)17-13-25-5-1-9-29(21-25)133(30-10-2-6-26(22-30)14-18-34(67,68)38(75,76)42(83,84)46(91,92)50(99,100)54(107,108)58(115,116)62(124,125)126)134(31-11-3-7-27(23-31)15-19-35(69,70)39(77,78)43(85,86)47(93,94)51(101,102)55(109,110)59(117,118)63(127,128)129)32-12-4-8-28(24-32)16-20-36(71,72)40(79,80)44(87,88)48(95,96)52(103,104)56(111,112)60(119,120)64(130,131)132/h1-12,21-24H,13-20H2
InChIKeyIDMQCFALMKWWGJ-UHFFFAOYSA-N
XLogP28.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds41
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002154.77
LogP ≤ 528.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane?
The IUPAC name of bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane (CID 101192024) is bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane.
What is the SMILES notation for bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane?
The canonical SMILES for bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1cccc(P(c2cccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)P(c2cccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)c2cccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)c1.
What is the InChIKey of bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane?
The InChIKey is IDMQCFALMKWWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H32F68P2/c65-33(66,37(73,74)41(81,82)45(89,90)49(97,98)53(105,106)57(113,114)61(121,122)123)17-13-25-5-1-9-29(21-25)133(30-10-2-6-26(22-30)14-18-34(67,68)38(75,76)42(83,84)46(91,92)50(99,100)54(107,108)58(115,116)62(124,125)126)134(31-11-3-7-27(23-31)15-19-35(69,70)39(77,78)43(85,86)47(93,94)51(101,102)55(109,110)59(117,118)63(127,128)129)32-12-4-8-28(24-32)16-20-36(71,72)40(79,80)44(87,88)48(95,96)52(103,104)56(111,112)60(119,120)64(130,131)132/h1-12,21-24H,13-20H2.
What are the key properties of bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane?
bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane has a molecular weight of 2154.77 g/mol, XLogP of 28.94, 41 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphanyl-bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane is sourced from PubChem (CID 101192024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).