1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine

C9H6Cl2F2N2 — CID 155363431

IUPAC1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine
SMILESFC1(F)C2Cc3c(Cl)nnc(Cl)c3CC21
InChIInChI=1S/C9H6Cl2F2N2/c10-7-3-1-5-6(9(5,12)13)2-4(3)8(11)15-14-7/h5-6H,1-2H2
InChIKeyRFZIRLDRQPQVPI-UHFFFAOYSA-N
MW251.06 g/mol
LogP2.76
Rot. Bonds

About 1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine

1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine (PubChem CID 155363431) has the molecular formula C9H6Cl2F2N2 and a molecular weight of 251.06 g/mol. Its IUPAC name is 1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine.

Molecular Properties

Compound Name1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine
PubChem CID155363431
Molecular FormulaC9H6Cl2F2N2
Molecular Weight251.06 g/mol
Exact Mass249.99
IUPAC Name1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine
SMILESFC1(F)C2Cc3c(Cl)nnc(Cl)c3CC21
InChIInChI=1S/C9H6Cl2F2N2/c10-7-3-1-5-6(9(5,12)13)2-4(3)8(11)15-14-7/h5-6H,1-2H2
InChIKeyRFZIRLDRQPQVPI-UHFFFAOYSA-N
XLogP2.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.06
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine?
The IUPAC name of 1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine (CID 155363431) is 1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine.
What is the SMILES notation for 1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine?
The canonical SMILES for 1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine is FC1(F)C2Cc3c(Cl)nnc(Cl)c3CC21.
What is the InChIKey of 1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine?
The InChIKey is RFZIRLDRQPQVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F2N2/c10-7-3-1-5-6(9(5,12)13)2-4(3)8(11)15-14-7/h5-6H,1-2H2.
What are the key properties of 1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine?
1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine has a molecular weight of 251.06 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine is sourced from PubChem (CID 155363431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).