(1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol

C11H12ClFO2 — CID 46193087

IUPAC(1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol
SMILESO[C@H](CCl)[C@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C11H12ClFO2/c12-6-9(14)11-3-1-7-5-8(13)2-4-10(7)15-11/h2,4-5,9,11,14H,1,3,6H2/t9-,11-/m1/s1
InChIKeyCJWPZPOGTNMOCI-MWLCHTKSSA-N
MW230.67 g/mol
LogP2.12
Rot. Bonds2

About (1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol

(1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol (PubChem CID 46193087) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is (1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol
PubChem CID46193087
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name(1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol
SMILESO[C@H](CCl)[C@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C11H12ClFO2/c12-6-9(14)11-3-1-7-5-8(13)2-4-10(7)15-11/h2,4-5,9,11,14H,1,3,6H2/t9-,11-/m1/s1
InChIKeyCJWPZPOGTNMOCI-MWLCHTKSSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol?
The IUPAC name of (1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol (CID 46193087) is (1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol.
What is the SMILES notation for (1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol?
The canonical SMILES for (1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol is O[C@H](CCl)[C@H]1CCc2cc(F)ccc2O1.
What is the InChIKey of (1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol?
The InChIKey is CJWPZPOGTNMOCI-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H12ClFO2/c12-6-9(14)11-3-1-7-5-8(13)2-4-10(7)15-11/h2,4-5,9,11,14H,1,3,6H2/t9-,11-/m1/s1.
What are the key properties of (1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol?
(1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol has a molecular weight of 230.67 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-chloro-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol is sourced from PubChem (CID 46193087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).