3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine

C11H13F4N3 — CID 162588651

IUPAC3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESC[C@@H]1CCN(c2ccc(C(F)(F)F)nn2)C[C@@H]1F
InChIInChI=1S/C11H13F4N3/c1-7-4-5-18(6-8(7)12)10-3-2-9(16-17-10)11(13,14)15/h2-3,7-8H,4-6H2,1H3/t7-,8+/m1/s1
InChIKeyBOGYDMFRWQKWKB-SFYZADRCSA-N
MW263.24 g/mol
LogP2.68
Rot. Bonds1

About 3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine

3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine (PubChem CID 162588651) has the molecular formula C11H13F4N3 and a molecular weight of 263.24 g/mol. Its IUPAC name is 3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine
PubChem CID162588651
Molecular FormulaC11H13F4N3
Molecular Weight263.24 g/mol
Exact Mass263.10
IUPAC Name3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESC[C@@H]1CCN(c2ccc(C(F)(F)F)nn2)C[C@@H]1F
InChIInChI=1S/C11H13F4N3/c1-7-4-5-18(6-8(7)12)10-3-2-9(16-17-10)11(13,14)15/h2-3,7-8H,4-6H2,1H3/t7-,8+/m1/s1
InChIKeyBOGYDMFRWQKWKB-SFYZADRCSA-N
XLogP2.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate
CID 155168175
2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol
CID 133420791
N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 133418255
(3S,4S)-4-(trifluoromethyl)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidine-3-carboxylic acid
CID 122063588
1-(6-tert-butylpyridazin-3-yl)piperidin-4-amine
CID 116972368
2-(4-cyclopropylphenyl)-1-[2-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 155161650
1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]piperidin-2-one
CID 133420344
1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione
CID 99837317
3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-6-methylpyridazine
CID 67965093
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 133433606
(3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine
CID 134406459

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine (CID 162588651) is 3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine is C[C@@H]1CCN(c2ccc(C(F)(F)F)nn2)C[C@@H]1F.
What is the InChIKey of 3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The InChIKey is BOGYDMFRWQKWKB-SFYZADRCSA-N. The full InChI is InChI=1S/C11H13F4N3/c1-7-4-5-18(6-8(7)12)10-3-2-9(16-17-10)11(13,14)15/h2-3,7-8H,4-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of 3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine?
3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine has a molecular weight of 263.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 162588651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).