(2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol

C15H20FNO2 — CID 173416168

IUPAC(2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol
SMILESCCN(CC)[C@@H](CO)C1C=Cc2cc(F)ccc2O1
InChIInChI=1S/C15H20FNO2/c1-3-17(4-2)13(10-18)15-7-5-11-9-12(16)6-8-14(11)19-15/h5-9,13,15,18H,3-4,10H2,1-2H3/t13-,15?/m0/s1
InChIKeyIOFDJJJOCVLQQQ-CFMCSPIPSA-N
MW265.33 g/mol
LogP2.30
Rot. Bonds5

About (2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol

(2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol (PubChem CID 173416168) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol
PubChem CID173416168
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol
SMILESCCN(CC)[C@@H](CO)C1C=Cc2cc(F)ccc2O1
InChIInChI=1S/C15H20FNO2/c1-3-17(4-2)13(10-18)15-7-5-11-9-12(16)6-8-14(11)19-15/h5-9,13,15,18H,3-4,10H2,1-2H3/t13-,15?/m0/s1
InChIKeyIOFDJJJOCVLQQQ-CFMCSPIPSA-N
XLogP2.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol?
The IUPAC name of (2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol (CID 173416168) is (2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol.
What is the SMILES notation for (2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol?
The canonical SMILES for (2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol is CCN(CC)[C@@H](CO)C1C=Cc2cc(F)ccc2O1.
What is the InChIKey of (2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol?
The InChIKey is IOFDJJJOCVLQQQ-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-17(4-2)13(10-18)15-7-5-11-9-12(16)6-8-14(11)19-15/h5-9,13,15,18H,3-4,10H2,1-2H3/t13-,15?/m0/s1.
What are the key properties of (2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol?
(2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol has a molecular weight of 265.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol is sourced from PubChem (CID 173416168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).