9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol

C18H17BrFNO — CID 123550729

IUPAC9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol
SMILESOC1CCc2c1ccc1c2c2cc(Br)ccc2n1CCCF
InChIInChI=1S/C18H17BrFNO/c19-11-2-5-15-14(10-11)18-13-4-7-17(22)12(13)3-6-16(18)21(15)9-1-8-20/h2-3,5-6,10,17,22H,1,4,7-9H2
InChIKeyMQYQWNKNPTXYOM-UHFFFAOYSA-N
MW362.24 g/mol
LogP4.90
Rot. Bonds3

About 9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol

9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol (PubChem CID 123550729) has the molecular formula C18H17BrFNO and a molecular weight of 362.24 g/mol. Its IUPAC name is 9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol.

Molecular Properties

Compound Name9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol
PubChem CID123550729
Molecular FormulaC18H17BrFNO
Molecular Weight362.24 g/mol
Exact Mass361.05
IUPAC Name9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol
SMILESOC1CCc2c1ccc1c2c2cc(Br)ccc2n1CCCF
InChIInChI=1S/C18H17BrFNO/c19-11-2-5-15-14(10-11)18-13-4-7-17(22)12(13)3-6-16(18)21(15)9-1-8-20/h2-3,5-6,10,17,22H,1,4,7-9H2
InChIKeyMQYQWNKNPTXYOM-UHFFFAOYSA-N
XLogP4.90
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol?
The IUPAC name of 9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol (CID 123550729) is 9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol.
What is the SMILES notation for 9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol?
The canonical SMILES for 9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol is OC1CCc2c1ccc1c2c2cc(Br)ccc2n1CCCF.
What is the InChIKey of 9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol?
The InChIKey is MQYQWNKNPTXYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFNO/c19-11-2-5-15-14(10-11)18-13-4-7-17(22)12(13)3-6-16(18)21(15)9-1-8-20/h2-3,5-6,10,17,22H,1,4,7-9H2.
What are the key properties of 9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol?
9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol has a molecular weight of 362.24 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-6-(3-fluoropropyl)-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol is sourced from PubChem (CID 123550729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).