(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol

C17H16FNO3 — CID 126530812

IUPAC(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol
SMILESO[C@H]1[C@@H](O)COC[C@@H]1n1c2ccccc2c2cc(F)ccc21
InChIInChI=1S/C17H16FNO3/c18-10-5-6-14-12(7-10)11-3-1-2-4-13(11)19(14)15-8-22-9-16(20)17(15)21/h1-7,15-17,20-21H,8-9H2/t15-,16-,17+/m0/s1
InChIKeyHUDMBTWHLGTNDQ-YESZJQIVSA-N
MW301.32 g/mol
LogP2.23
Rot. Bonds1

About (3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol

(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol (PubChem CID 126530812) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is (3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol
PubChem CID126530812
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol
SMILESO[C@H]1[C@@H](O)COC[C@@H]1n1c2ccccc2c2cc(F)ccc21
InChIInChI=1S/C17H16FNO3/c18-10-5-6-14-12(7-10)11-3-1-2-4-13(11)19(14)15-8-22-9-16(20)17(15)21/h1-7,15-17,20-21H,8-9H2/t15-,16-,17+/m0/s1
InChIKeyHUDMBTWHLGTNDQ-YESZJQIVSA-N
XLogP2.23
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol?
The IUPAC name of (3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol (CID 126530812) is (3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol.
What is the SMILES notation for (3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol?
The canonical SMILES for (3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol is O[C@H]1[C@@H](O)COC[C@@H]1n1c2ccccc2c2cc(F)ccc21.
What is the InChIKey of (3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol?
The InChIKey is HUDMBTWHLGTNDQ-YESZJQIVSA-N. The full InChI is InChI=1S/C17H16FNO3/c18-10-5-6-14-12(7-10)11-3-1-2-4-13(11)19(14)15-8-22-9-16(20)17(15)21/h1-7,15-17,20-21H,8-9H2/t15-,16-,17+/m0/s1.
What are the key properties of (3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol?
(3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol has a molecular weight of 301.32 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-5-(3-fluorocarbazol-9-yl)oxane-3,4-diol is sourced from PubChem (CID 126530812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).