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

C18H18FNO2 — CID 118374177

IUPAC(1R,2S,3R)-3-(3-fluorocarbazol-9-yl)cyclohexane-1,2-diol
SMILESO[C@@H]1[C@H](O)CCC[C@H]1n1c2ccccc2c2cc(F)ccc21
InChIInChI=1S/C18H18FNO2/c19-11-8-9-15-13(10-11)12-4-1-2-5-14(12)20(15)16-6-3-7-17(21)18(16)22/h1-2,4-5,8-10,16-18,21-22H,3,6-7H2/t16-,17-,18+/m1/s1
InChIKeyZORQZCVSISZJNQ-KURKYZTESA-N
MW299.34 g/mol
LogP3.38
Rot. Bonds1

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

(1R,2S,3R)-3-(3-fluorocarbazol-9-yl)cyclohexane-1,2-diol (PubChem CID 118374177) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is (1R,2S,3R)-3-(3-fluorocarbazol-9-yl)cyclohexane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R)-3-(3-fluorocarbazol-9-yl)cyclohexane-1,2-diol
PubChem CID118374177
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC Name(1R,2S,3R)-3-(3-fluorocarbazol-9-yl)cyclohexane-1,2-diol
SMILESO[C@@H]1[C@H](O)CCC[C@H]1n1c2ccccc2c2cc(F)ccc21
InChIInChI=1S/C18H18FNO2/c19-11-8-9-15-13(10-11)12-4-1-2-5-14(12)20(15)16-6-3-7-17(21)18(16)22/h1-2,4-5,8-10,16-18,21-22H,3,6-7H2/t16-,17-,18+/m1/s1
InChIKeyZORQZCVSISZJNQ-KURKYZTESA-N
XLogP3.38
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.38
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-fluorocarbazol-9-yl)cyclohexane-1,2-diol?
The IUPAC name of (1R,2S,3R)-3-(3-fluorocarbazol-9-yl)cyclohexane-1,2-diol (CID 118374177) is (1R,2S,3R)-3-(3-fluorocarbazol-9-yl)cyclohexane-1,2-diol.
What is the SMILES notation for (1R,2S,3R)-3-(3-fluorocarbazol-9-yl)cyclohexane-1,2-diol?
The canonical SMILES for (1R,2S,3R)-3-(3-fluorocarbazol-9-yl)cyclohexane-1,2-diol is O[C@@H]1[C@H](O)CCC[C@H]1n1c2ccccc2c2cc(F)ccc21.
What is the InChIKey of (1R,2S,3R)-3-(3-fluorocarbazol-9-yl)cyclohexane-1,2-diol?
The InChIKey is ZORQZCVSISZJNQ-KURKYZTESA-N. The full InChI is InChI=1S/C18H18FNO2/c19-11-8-9-15-13(10-11)12-4-1-2-5-14(12)20(15)16-6-3-7-17(21)18(16)22/h1-2,4-5,8-10,16-18,21-22H,3,6-7H2/t16-,17-,18+/m1/s1.
What are the key properties of (1R,2S,3R)-3-(3-fluorocarbazol-9-yl)cyclohexane-1,2-diol?
(1R,2S,3R)-3-(3-fluorocarbazol-9-yl)cyclohexane-1,2-diol has a molecular weight of 299.34 g/mol, XLogP of 3.38, 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-fluorocarbazol-9-yl)cyclohexane-1,2-diol is sourced from PubChem (CID 118374177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).