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

C28H18F17P — CID 11422653

IUPAC[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H18F17P/c29-21(30,22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)27(41,42)28(43,44)45)16-15-17-11-13-20(14-12-17)46(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15-16H2
InChIKeyUPXCRVHPPXSSDG-UHFFFAOYSA-N
MW708.39 g/mol
LogP9.39
Rot. Bonds12

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

[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane (PubChem CID 11422653) has the molecular formula C28H18F17P and a molecular weight of 708.39 g/mol. Its IUPAC name is [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane
PubChem CID11422653
Molecular FormulaC28H18F17P
Molecular Weight708.39 g/mol
Exact Mass708.09
IUPAC Name[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H18F17P/c29-21(30,22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)27(41,42)28(43,44)45)16-15-17-11-13-20(14-12-17)46(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15-16H2
InChIKeyUPXCRVHPPXSSDG-UHFFFAOYSA-N
XLogP9.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.39
LogP ≤ 59.39
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'}

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Related Compounds

Triphenylethylene
CID 6025
Phosphine, tris(4-methylphenyl)-
CID 13956
Triphenylmethane
CID 10614
Trityl hexafluorophosphate
CID 2723954
Tri-o-tolylphosphine
CID 80271
Triphenylcarbenium tetrafluoroborate
CID 2723955
Phosphine, tris(phenylmethyl)-
CID 82101
Diphenyl(phenylmethyl)phosphine oxide
CID 76293
Tri-m-tolylphosphine
CID 80362
2,4,6-Triphenyl-1-hexene
CID 177033
Diphenyl-o-tolylphosphine
CID 80040
Tricyclo(8.2.2.24,7)hexadeca-4,6,10,12,13,15-hexaene, 2,2,3,3,8,8,9,9,-octafluoro-
CID 137896

Frequently Asked Questions

What is the IUPAC name of [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane?
The IUPAC name of [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane (CID 11422653) is [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane.
What is the SMILES notation for [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane?
The canonical SMILES for [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane 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)CCc1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane?
The InChIKey is UPXCRVHPPXSSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F17P/c29-21(30,22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)27(41,42)28(43,44)45)16-15-17-11-13-20(14-12-17)46(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15-16H2.
What are the key properties of [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane?
[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane has a molecular weight of 708.39 g/mol, XLogP of 9.39, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane is sourced from PubChem (CID 11422653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).