ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane

C12H5F14P — CID 22637443

IUPACethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESCCP(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H5F14P/c1-2-27(8-6(16)4(14)3(13)5(15)7(8)17)12(25,26)10(20,21)9(18,19)11(22,23)24/h2H2,1H3
InChIKeyVWBULAPFYXUNCI-UHFFFAOYSA-N
MW446.12 g/mol
LogP5.93
Rot. Bonds5

About ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane

ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane (PubChem CID 22637443) has the molecular formula C12H5F14P and a molecular weight of 446.12 g/mol. Its IUPAC name is ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane.

Molecular Properties

Compound Nameethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane
PubChem CID22637443
Molecular FormulaC12H5F14P
Molecular Weight446.12 g/mol
Exact Mass445.99
IUPAC Nameethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESCCP(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H5F14P/c1-2-27(8-6(16)4(14)3(13)5(15)7(8)17)12(25,26)10(20,21)9(18,19)11(22,23)24/h2H2,1H3
InChIKeyVWBULAPFYXUNCI-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.12
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 22637718
ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane
CID 88850684
butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 22637866
1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine
CID 174739856
bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 22925407
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctan-1-amine
CID 87370892
2,3,4,5,6-pentafluoro-N-hexyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
CID 22637765
N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine
CID 23233872
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(trifluoromethyl)pentane
CID 11515508
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652

Frequently Asked Questions

What is the IUPAC name of ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
The IUPAC name of ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane (CID 22637443) is ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane.
What is the SMILES notation for ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
The canonical SMILES for ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane is CCP(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
The InChIKey is VWBULAPFYXUNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F14P/c1-2-27(8-6(16)4(14)3(13)5(15)7(8)17)12(25,26)10(20,21)9(18,19)11(22,23)24/h2H2,1H3.
What are the key properties of ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane has a molecular weight of 446.12 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane is sourced from PubChem (CID 22637443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).