10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole

C16H16FN — CID 70809943

IUPAC10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole
SMILESC1CC2=C(C=C1)C3C(C=C2)NC4=C3CC(C=C4)F
InChIInChI=1S/C16H16FN/c17-11-6-8-14-13(9-11)16-12-4-2-1-3-10(12)5-7-15(16)18-14/h2,4-8,11,15-16,18H,1,3,9H2
InChIKeyBVHRUCIICGBRJD-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.60
Rot. Bonds

About 10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole

10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole (PubChem CID 70809943) has the molecular formula C16H16FN and a molecular weight of 241.30 g/mol. Its IUPAC name is 10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole.

Molecular Properties

Compound Name10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole
PubChem CID70809943
Molecular FormulaC16H16FN
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole
SMILESC1CC2=C(C=C1)C3C(C=C2)NC4=C3CC(C=C4)F
InChIInChI=1S/C16H16FN/c17-11-6-8-14-13(9-11)16-12-4-2-1-3-10(12)5-7-15(16)18-14/h2,4-8,11,15-16,18H,1,3,9H2
InChIKeyBVHRUCIICGBRJD-UHFFFAOYSA-N
XLogP2.60
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity547

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole?
The IUPAC name of 10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole (CID 70809943) is 10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole.
What is the SMILES notation for 10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole?
The canonical SMILES for 10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole is C1CC2=C(C=C1)C3C(C=C2)NC4=C3CC(C=C4)F.
What is the InChIKey of 10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole?
The InChIKey is BVHRUCIICGBRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c17-11-6-8-14-13(9-11)16-12-4-2-1-3-10(12)5-7-15(16)18-14/h2,4-8,11,15-16,18H,1,3,9H2.
What are the key properties of 10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole?
10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole has a molecular weight of 241.30 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole is sourced from PubChem (CID 70809943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).