2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid

C11H14F6NO4P — CID 159116546

IUPAC2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid
SMILESCCc1nccc(CC(F)(F)F)c1CC(F)(F)F.O=P(O)(O)O
InChIInChI=1S/C11H11F6N.H3O4P/c1-2-9-8(6-11(15,16)17)7(3-4-18-9)5-10(12,13)14;1-5(2,3)4/h3-4H,2,5-6H2,1H3;(H3,1,2,3,4)
InChIKeyYHDYZOQKEIWNEA-UHFFFAOYSA-N
MW369.20 g/mol
LogP2.92
Rot. Bonds3

About 2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid

2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid (PubChem CID 159116546) has the molecular formula C11H14F6NO4P and a molecular weight of 369.20 g/mol. Its IUPAC name is 2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid.

Molecular Properties

Compound Name2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid
PubChem CID159116546
Molecular FormulaC11H14F6NO4P
Molecular Weight369.20 g/mol
Exact Mass369.06
IUPAC Name2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid
SMILESCCc1nccc(CC(F)(F)F)c1CC(F)(F)F.O=P(O)(O)O
InChIInChI=1S/C11H11F6N.H3O4P/c1-2-9-8(6-11(15,16)17)7(3-4-18-9)5-10(12,13)14;1-5(2,3)4/h3-4H,2,5-6H2,1H3;(H3,1,2,3,4)
InChIKeyYHDYZOQKEIWNEA-UHFFFAOYSA-N
XLogP2.92
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-diethyl-3-pyridinyl)methanol
CID 59589353
2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
CID 177328256
3-(chloromethyl)-2,4-diethylpyridine
CID 168797457
azane;2,3-diethyl-4-(trifluoromethyl)pyridine
CID 174607382
2,4-diethylpyridine-3-carboxamide;hydrochloride
CID 69129462
4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 178099390
2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 172552203
4-ethyl-2,3-bis(trifluoromethyl)pyridine
CID 133094685
N-methyl-4-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 148743590
2,3-diethylpyridine
CID 14747123
2-decyl-3,4-diethylpyridine
CID 150975827
[4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate
CID 66916945

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid?
The IUPAC name of 2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid (CID 159116546) is 2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid.
What is the SMILES notation for 2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid?
The canonical SMILES for 2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid is CCc1nccc(CC(F)(F)F)c1CC(F)(F)F.O=P(O)(O)O.
What is the InChIKey of 2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid?
The InChIKey is YHDYZOQKEIWNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N.H3O4P/c1-2-9-8(6-11(15,16)17)7(3-4-18-9)5-10(12,13)14;1-5(2,3)4/h3-4H,2,5-6H2,1H3;(H3,1,2,3,4).
What are the key properties of 2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid?
2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid has a molecular weight of 369.20 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid is sourced from PubChem (CID 159116546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).