4,4-difluoro-1H-cyclopenta[f]indazole

C10H6F2N2 — CID 91401390

IUPAC4,4-difluoro-1H-cyclopenta[f]indazole
SMILESFC1(F)C2=CC=CC2=Cc2[nH]ncc21
InChIInChI=1S/C10H6F2N2/c11-10(12)7-3-1-2-6(7)4-9-8(10)5-13-14-9/h1-5H,(H,13,14)
InChIKeyNFGMKMJQTGCJPL-UHFFFAOYSA-N
MW192.17 g/mol
LogP2.39
Rot. Bonds

About 4,4-difluoro-1H-cyclopenta[f]indazole

4,4-difluoro-1H-cyclopenta[f]indazole (PubChem CID 91401390) has the molecular formula C10H6F2N2 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4,4-difluoro-1H-cyclopenta[f]indazole.

Molecular Properties

Compound Name4,4-difluoro-1H-cyclopenta[f]indazole
PubChem CID91401390
Molecular FormulaC10H6F2N2
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name4,4-difluoro-1H-cyclopenta[f]indazole
SMILESFC1(F)C2=CC=CC2=Cc2[nH]ncc21
InChIInChI=1S/C10H6F2N2/c11-10(12)7-3-1-2-6(7)4-9-8(10)5-13-14-9/h1-5H,(H,13,14)
InChIKeyNFGMKMJQTGCJPL-UHFFFAOYSA-N
XLogP2.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1H-cyclopenta[f]indazole?
The IUPAC name of 4,4-difluoro-1H-cyclopenta[f]indazole (CID 91401390) is 4,4-difluoro-1H-cyclopenta[f]indazole.
What is the SMILES notation for 4,4-difluoro-1H-cyclopenta[f]indazole?
The canonical SMILES for 4,4-difluoro-1H-cyclopenta[f]indazole is FC1(F)C2=CC=CC2=Cc2[nH]ncc21.
What is the InChIKey of 4,4-difluoro-1H-cyclopenta[f]indazole?
The InChIKey is NFGMKMJQTGCJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2/c11-10(12)7-3-1-2-6(7)4-9-8(10)5-13-14-9/h1-5H,(H,13,14).
What are the key properties of 4,4-difluoro-1H-cyclopenta[f]indazole?
4,4-difluoro-1H-cyclopenta[f]indazole has a molecular weight of 192.17 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1H-cyclopenta[f]indazole is sourced from PubChem (CID 91401390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).