(1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol

C18H17F2NO2 — CID 118374192

IUPAC(1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol
SMILESO[C@@H]1[C@H](O)CCC[C@H]1n1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C18H17F2NO2/c19-10-4-6-14-12(8-10)13-9-11(20)5-7-15(13)21(14)16-2-1-3-17(22)18(16)23/h4-9,16-18,22-23H,1-3H2/t16-,17-,18+/m1/s1
InChIKeyZCHYARDUGHQWFS-KURKYZTESA-N
MW317.34 g/mol
LogP3.52
Rot. Bonds1

About (1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol

(1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol (PubChem CID 118374192) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is (1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol
PubChem CID118374192
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC Name(1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol
SMILESO[C@@H]1[C@H](O)CCC[C@H]1n1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C18H17F2NO2/c19-10-4-6-14-12(8-10)13-9-11(20)5-7-15(13)21(14)16-2-1-3-17(22)18(16)23/h4-9,16-18,22-23H,1-3H2/t16-,17-,18+/m1/s1
InChIKeyZCHYARDUGHQWFS-KURKYZTESA-N
XLogP3.52
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol?
The IUPAC name of (1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol (CID 118374192) is (1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol.
What is the SMILES notation for (1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol?
The canonical SMILES for (1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol is O[C@@H]1[C@H](O)CCC[C@H]1n1c2ccc(F)cc2c2cc(F)ccc21.
What is the InChIKey of (1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol?
The InChIKey is ZCHYARDUGHQWFS-KURKYZTESA-N. The full InChI is InChI=1S/C18H17F2NO2/c19-10-4-6-14-12(8-10)13-9-11(20)5-7-15(13)21(14)16-2-1-3-17(22)18(16)23/h4-9,16-18,22-23H,1-3H2/t16-,17-,18+/m1/s1.
What are the key properties of (1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol?
(1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol has a molecular weight of 317.34 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-3-(3,6-difluorocarbazol-9-yl)cyclohexane-1,2-diol is sourced from PubChem (CID 118374192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).