1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid

C6HF12O2P — CID 121284333

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid
SMILESO=P(O)(C(F)=C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF12O2P/c7-1(8)2(9)21(19,20)6(17,18)4(12,13)3(10,11)5(14,15)16/h(H,19,20)
InChIKeyWMIIYKLOVWSMFM-UHFFFAOYSA-N
MW364.02 g/mol
LogP4.72
Rot. Bonds4

About 1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid

1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid (PubChem CID 121284333) has the molecular formula C6HF12O2P and a molecular weight of 364.02 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid
PubChem CID121284333
Molecular FormulaC6HF12O2P
Molecular Weight364.02 g/mol
Exact Mass363.95
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid
SMILESO=P(O)(C(F)=C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF12O2P/c7-1(8)2(9)21(19,20)6(17,18)4(12,13)3(10,11)5(14,15)16/h(H,19,20)
InChIKeyWMIIYKLOVWSMFM-UHFFFAOYSA-N
XLogP4.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.02
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1,1,2,2,3,3,4,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,2-pentafluoroethyl)hexyl]phosphonic acid
CID 87155338
dilithium;hydrogen phosphate;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
CID 175326107
(10-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecyl)phosphonic acid
CID 163324651
1,1,1,2,2,3,4,4,5,5,5-undecafluoropentan-3-ylphosphonic acid
CID 87154822
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
1,1,2,2,2-pentafluoroethylphosphonic acid dichloride
CID 53432341
2-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
CID 121433205
bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl) hydrogen phosphate
CID 121302504
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptyl)phosphoryl]heptane
CID 146588204
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid (CID 121284333) is 1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid is O=P(O)(C(F)=C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid?
The InChIKey is WMIIYKLOVWSMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF12O2P/c7-1(8)2(9)21(19,20)6(17,18)4(12,13)3(10,11)5(14,15)16/h(H,19,20).
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid?
1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid has a molecular weight of 364.02 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,2,2-trifluoroethenyl)phosphinic acid is sourced from PubChem (CID 121284333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).