1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine

C15H22F2N2 — CID 170258531

IUPAC1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine
SMILESCC(C)(C)c1nnc(C(C)(C)C)c2c1CCC2(F)F
InChIInChI=1S/C15H22F2N2/c1-13(2,3)11-9-7-8-15(16,17)10(9)12(19-18-11)14(4,5)6/h7-8H2,1-6H3
InChIKeyOYFGVWDEKGWTDN-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.11
Rot. Bonds

About 1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine

1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine (PubChem CID 170258531) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine.

Molecular Properties

Compound Name1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine
PubChem CID170258531
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine
SMILESCC(C)(C)c1nnc(C(C)(C)C)c2c1CCC2(F)F
InChIInChI=1S/C15H22F2N2/c1-13(2,3)11-9-7-8-15(16,17)10(9)12(19-18-11)14(4,5)6/h7-8H2,1-6H3
InChIKeyOYFGVWDEKGWTDN-UHFFFAOYSA-N
XLogP4.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Diazaindan, 6,7-dimethyl-
CID 58890735
1,4-Dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 90182986
3,4-Dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine
CID 154190079
4-Cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane
CID 164557688
4-Cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine
CID 164557689
Ethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine
CID 164557879
3,4,6-Trimethyl-5-(trifluoromethyl)pyridazine
CID 164557880
4-Cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane
CID 168913059
4,5-Bis(1,1-difluoroethyl)-3,6-dimethylpyridazine
CID 169890202
4-Cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine
CID 171408426
4-Methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine
CID 171408429
6-Tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine
CID 171600811

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine?
The IUPAC name of 1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine (CID 170258531) is 1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine.
What is the SMILES notation for 1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine?
The canonical SMILES for 1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine is CC(C)(C)c1nnc(C(C)(C)C)c2c1CCC2(F)F.
What is the InChIKey of 1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine?
The InChIKey is OYFGVWDEKGWTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-13(2,3)11-9-7-8-15(16,17)10(9)12(19-18-11)14(4,5)6/h7-8H2,1-6H3.
What are the key properties of 1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine?
1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine has a molecular weight of 268.35 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine is sourced from PubChem (CID 170258531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).