6-chloro-1-(2-fluoropropan-2-yl)phthalazine

C11H10ClFN2 — CID 59726028

IUPAC6-chloro-1-(2-fluoropropan-2-yl)phthalazine
SMILESCC(C)(F)c1nncc2cc(Cl)ccc12
InChIInChI=1S/C11H10ClFN2/c1-11(2,13)10-9-4-3-8(12)5-7(9)6-14-15-10/h3-6H,1-2H3
InChIKeyJEAUCCKRAFAASP-UHFFFAOYSA-N
MW224.67 g/mol
LogP3.49
Rot. Bonds1

About 6-chloro-1-(2-fluoropropan-2-yl)phthalazine

6-chloro-1-(2-fluoropropan-2-yl)phthalazine (PubChem CID 59726028) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 6-chloro-1-(2-fluoropropan-2-yl)phthalazine.

Molecular Properties

Compound Name6-chloro-1-(2-fluoropropan-2-yl)phthalazine
PubChem CID59726028
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name6-chloro-1-(2-fluoropropan-2-yl)phthalazine
SMILESCC(C)(F)c1nncc2cc(Cl)ccc12
InChIInChI=1S/C11H10ClFN2/c1-11(2,13)10-9-4-3-8(12)5-7(9)6-14-15-10/h3-6H,1-2H3
InChIKeyJEAUCCKRAFAASP-UHFFFAOYSA-N
XLogP3.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Chloro-4-methylphthalazine
CID 269733
1-Chlorophthalazine
CID 160793
2-(6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl)-N,N-dimethylethanamine
CID 11688223
4-Chlorocinnoline
CID 10909904
1,6-Dichlorophthalazine
CID 14322333
1-Chloro-4-phenylphthalazine
CID 272109
1-Chloro-4-(4-fluorophenyl)phthalazine
CID 2115239
1-Methylphthalazine
CID 589029
1-Phenylphthalazine
CID 609624
1-Chlorophthalazine hydrochloride
CID 22386464
1-Chloro-4-(trifluoromethyl)phthalazine
CID 58034269
1-Chloro-7-(trifluoromethyl)phthalazine
CID 58562576

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-fluoropropan-2-yl)phthalazine?
The IUPAC name of 6-chloro-1-(2-fluoropropan-2-yl)phthalazine (CID 59726028) is 6-chloro-1-(2-fluoropropan-2-yl)phthalazine.
What is the SMILES notation for 6-chloro-1-(2-fluoropropan-2-yl)phthalazine?
The canonical SMILES for 6-chloro-1-(2-fluoropropan-2-yl)phthalazine is CC(C)(F)c1nncc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1-(2-fluoropropan-2-yl)phthalazine?
The InChIKey is JEAUCCKRAFAASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-11(2,13)10-9-4-3-8(12)5-7(9)6-14-15-10/h3-6H,1-2H3.
What are the key properties of 6-chloro-1-(2-fluoropropan-2-yl)phthalazine?
6-chloro-1-(2-fluoropropan-2-yl)phthalazine has a molecular weight of 224.67 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-fluoropropan-2-yl)phthalazine is sourced from PubChem (CID 59726028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).