(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane

C22H12F19P — CID 87504522

IUPAC(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)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)C(F)(F)C(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H12F19P/c23-14(24,13(42,11-7-3-1-4-8-11)12-9-5-2-6-10-12)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)21(37,38)22(39,40)41/h1-10H,42H2
InChIKeyCKYYCXFLFXAKHB-UHFFFAOYSA-N
MW668.27 g/mol
LogP9.45
Rot. Bonds10

About (2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane

(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane (PubChem CID 87504522) has the molecular formula C22H12F19P and a molecular weight of 668.27 g/mol. Its IUPAC name is (2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane.

Molecular Properties

Compound Name(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane
PubChem CID87504522
Molecular FormulaC22H12F19P
Molecular Weight668.27 g/mol
Exact Mass668.04
IUPAC Name(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)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)C(F)(F)C(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H12F19P/c23-14(24,13(42,11-7-3-1-4-8-11)12-9-5-2-6-10-12)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)21(37,38)22(39,40)41/h1-10H,42H2
InChIKeyCKYYCXFLFXAKHB-UHFFFAOYSA-N
XLogP9.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.27
LogP ≤ 59.45
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

Biphenyl
CID 7095
Diphenylmethane
CID 7580
Dibenzyl
CID 7647
2-Fluorobiphenyl
CID 67579
6,6'-Diphenylfulvene
CID 101236
Trityl hexafluorophosphate
CID 2723954
Biphenyl-d10
CID 137030
Triphenylcarbenium tetrafluoroborate
CID 2723955
1,4-Diphenylbutane
CID 66182
4-Trifluoromethylbiphenyl
CID 9877863
4-Fluorobiphenyl
CID 9461
4,4'-Difluoro-1,1'-biphenyl
CID 9811

Frequently Asked Questions

What is the IUPAC name of (2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane?
The IUPAC name of (2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane (CID 87504522) is (2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane.
What is the SMILES notation for (2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane?
The canonical SMILES for (2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)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)C(F)(F)C(P)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane?
The InChIKey is CKYYCXFLFXAKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F19P/c23-14(24,13(42,11-7-3-1-4-8-11)12-9-5-2-6-10-12)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)21(37,38)22(39,40)41/h1-10H,42H2.
What are the key properties of (2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane?
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane has a molecular weight of 668.27 g/mol, XLogP of 9.45, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane is sourced from PubChem (CID 87504522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).