6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole

C11H13FN2 — CID 176685570

IUPAC6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole
SMILESCC(C)n1cnc2c1=CC1CC1C=2F
InChIInChI=1S/C11H13FN2/c1-6(2)14-5-13-11-9(14)4-7-3-8(7)10(11)12/h4-8H,3H2,1-2H3
InChIKeyXAVREPURWIHXBC-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.97
Rot. Bonds1

About 6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole

6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole (PubChem CID 176685570) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole.

Molecular Properties

Compound Name6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole
PubChem CID176685570
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole
SMILESCC(C)n1cnc2c1=CC1CC1C=2F
InChIInChI=1S/C11H13FN2/c1-6(2)14-5-13-11-9(14)4-7-3-8(7)10(11)12/h4-8H,3H2,1-2H3
InChIKeyXAVREPURWIHXBC-UHFFFAOYSA-N
XLogP0.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole?
The IUPAC name of 6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole (CID 176685570) is 6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole.
What is the SMILES notation for 6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole?
The canonical SMILES for 6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole is CC(C)n1cnc2c1=CC1CC1C=2F.
What is the InChIKey of 6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole?
The InChIKey is XAVREPURWIHXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-6(2)14-5-13-11-9(14)4-7-3-8(7)10(11)12/h4-8H,3H2,1-2H3.
What are the key properties of 6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole?
6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole has a molecular weight of 192.24 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole is sourced from PubChem (CID 176685570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).