2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile

C19H15FN2O — CID 163996845

IUPAC2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(O)ccc2Cc2c1[nH]c1cc(C#N)c(F)cc21
InChIInChI=1S/C19H15FN2O/c1-19(2)15-7-12(23)4-3-10(15)5-14-13-8-16(20)11(9-21)6-17(13)22-18(14)19/h3-4,6-8,22-23H,5H2,1-2H3
InChIKeyUFKXEGWPIKVSGW-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.11
Rot. Bonds

About 2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile

2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile (PubChem CID 163996845) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile
PubChem CID163996845
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(O)ccc2Cc2c1[nH]c1cc(C#N)c(F)cc21
InChIInChI=1S/C19H15FN2O/c1-19(2)15-7-12(23)4-3-10(15)5-14-13-8-16(20)11(9-21)6-17(13)22-18(14)19/h3-4,6-8,22-23H,5H2,1-2H3
InChIKeyUFKXEGWPIKVSGW-UHFFFAOYSA-N
XLogP4.11
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-hydroxybenzonitrile;hydrochloride
CID 145086137
3,9-dibromo-8-methoxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole
CID 66834574
8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 141282919
7-fluoro-2,2-dimethyl-3-oxo-4H-chromene-6-carbonitrile
CID 58376538
3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
CID 10171732
6,11-bis(9,9-dimethylacridin-10-yl)-3-fluorotriphenylene-2-carbonitrile
CID 121477980
1,1,3,3-tetramethyl-2H-indol-1-ium-5-ol
CID 20504441
5-fluoro-1H-indole-6-carbonitrile
CID 67025317
9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile
CID 135211199
7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one
CID 165352303
3,3-dimethyl-1H-2-benzofuran-5-ol
CID 57076460
2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol
CID 175017807

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile?
The IUPAC name of 2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile (CID 163996845) is 2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile is CC1(C)c2cc(O)ccc2Cc2c1[nH]c1cc(C#N)c(F)cc21.
What is the InChIKey of 2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile?
The InChIKey is UFKXEGWPIKVSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c1-19(2)15-7-12(23)4-3-10(15)5-14-13-8-16(20)11(9-21)6-17(13)22-18(14)19/h3-4,6-8,22-23H,5H2,1-2H3.
What are the key properties of 2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile?
2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile has a molecular weight of 306.34 g/mol, XLogP of 4.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-hydroxy-6,6-dimethyl-5,11-dihydrobenzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 163996845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).