1-chloro-6-(trifluoromethyl)phthalazine

C9H4ClF3N2 — CID 172570708

IUPAC1-chloro-6-(trifluoromethyl)phthalazine
SMILESFC(F)(F)c1ccc2c(Cl)nncc2c1
InChIInChI=1S/C9H4ClF3N2/c10-8-7-2-1-6(9(11,12)13)3-5(7)4-14-15-8/h1-4H
InChIKeyMYSIGJROOIXBSH-UHFFFAOYSA-N
MW232.59 g/mol
LogP3.30
Rot. Bonds

About 1-chloro-6-(trifluoromethyl)phthalazine

1-chloro-6-(trifluoromethyl)phthalazine (PubChem CID 172570708) has the molecular formula C9H4ClF3N2 and a molecular weight of 232.59 g/mol. Its IUPAC name is 1-chloro-6-(trifluoromethyl)phthalazine.

Molecular Properties

Compound Name1-chloro-6-(trifluoromethyl)phthalazine
PubChem CID172570708
Molecular FormulaC9H4ClF3N2
Molecular Weight232.59 g/mol
Exact Mass232.00
IUPAC Name1-chloro-6-(trifluoromethyl)phthalazine
SMILESFC(F)(F)c1ccc2c(Cl)nncc2c1
InChIInChI=1S/C9H4ClF3N2/c10-8-7-2-1-6(9(11,12)13)3-5(7)4-14-15-8/h1-4H
InChIKeyMYSIGJROOIXBSH-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.59
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,10-bis(trifluoromethyl)picene
CID 88902241
4-bromo-7-(trifluoromethyl)isoquinoline
CID 131699987
3-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 172570704
2,11-bis(trifluoromethyl)picene
CID 88902337
3-ethynyl-7-(trifluoromethyl)isoquinoline
CID 142618820
3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline
CID 97181858
6-(trifluoromethyl)quinazolin-2-amine
CID 10584686
4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline
CID 114589434
9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole
CID 167454748
4-chloro-7-(trifluoromethyl)quinolin-3-amine
CID 133061186
N'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide
CID 174679781
2-chloro-3-methoxy-6-(trifluoromethyl)quinoline
CID 117246626

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(trifluoromethyl)phthalazine?
The IUPAC name of 1-chloro-6-(trifluoromethyl)phthalazine (CID 172570708) is 1-chloro-6-(trifluoromethyl)phthalazine.
What is the SMILES notation for 1-chloro-6-(trifluoromethyl)phthalazine?
The canonical SMILES for 1-chloro-6-(trifluoromethyl)phthalazine is FC(F)(F)c1ccc2c(Cl)nncc2c1.
What is the InChIKey of 1-chloro-6-(trifluoromethyl)phthalazine?
The InChIKey is MYSIGJROOIXBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2/c10-8-7-2-1-6(9(11,12)13)3-5(7)4-14-15-8/h1-4H.
What are the key properties of 1-chloro-6-(trifluoromethyl)phthalazine?
1-chloro-6-(trifluoromethyl)phthalazine has a molecular weight of 232.59 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(trifluoromethyl)phthalazine is sourced from PubChem (CID 172570708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).