1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane

C11H14F7N — CID 175338596

IUPAC1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane
SMILESCCN1C=CC=C(C)C1.FC(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13N.C3HF7/c1-3-9-6-4-5-8(2)7-9;4-1(5)2(6,7)3(8,9)10/h4-6H,3,7H2,1-2H3;1H
InChIKeyWKFFOROGAQZMIL-UHFFFAOYSA-N
MW293.23 g/mol
LogP4.23
Rot. Bonds2

About 1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane

1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane (PubChem CID 175338596) has the molecular formula C11H14F7N and a molecular weight of 293.23 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane
PubChem CID175338596
Molecular FormulaC11H14F7N
Molecular Weight293.23 g/mol
Exact Mass293.10
IUPAC Name1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane
SMILESCCN1C=CC=C(C)C1.FC(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13N.C3HF7/c1-3-9-6-4-5-8(2)7-9;4-1(5)2(6,7)3(8,9)10/h4-6H,3,7H2,1-2H3;1H
InChIKeyWKFFOROGAQZMIL-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine
CID 90423426
1-(2,2,2-trifluoroethyl)-2H-pyridine
CID 90887733
1-methyl-4-(trifluoromethyl)-2H-pyridine
CID 121391423
2-fluoro-1-propyl-2H-pyridine
CID 140054350
1-(2,2-difluoroethyl)-2H-pyridine
CID 141104576
6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine
CID 141328098
3-(difluoromethyl)-1-methyl-2H-pyridine
CID 141742950
3-(difluoromethyl)-1,6-dimethyl-2H-pyridine
CID 145272368
1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine
CID 145362056
4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine
CID 150628397
1-methyl-3-(trifluoromethyl)-2H-pyridine
CID 151053275
1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine
CID 154629273

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane?
The IUPAC name of 1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane (CID 175338596) is 1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane.
What is the SMILES notation for 1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane?
The canonical SMILES for 1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane is CCN1C=CC=C(C)C1.FC(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane?
The InChIKey is WKFFOROGAQZMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C3HF7/c1-3-9-6-4-5-8(2)7-9;4-1(5)2(6,7)3(8,9)10/h4-6H,3,7H2,1-2H3;1H.
What are the key properties of 1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane?
1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane has a molecular weight of 293.23 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-pyridine;1,1,1,2,2,3,3-heptafluoropropane is sourced from PubChem (CID 175338596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).