(4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol

C9H8ClFO2 — CID 82717481

IUPAC(4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CCOc2cc(F)c(Cl)cc21
InChIInChI=1S/C9H8ClFO2/c10-6-3-5-8(12)1-2-13-9(5)4-7(6)11/h3-4,8,12H,1-2H2/t8-/m1/s1
InChIKeyTZOWSGOGANSFHA-MRVPVSSYSA-N
MW202.61 g/mol
LogP2.30
Rot. Bonds

About (4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol

(4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82717481) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is (4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID82717481
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name(4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CCOc2cc(F)c(Cl)cc21
InChIInChI=1S/C9H8ClFO2/c10-6-3-5-8(12)1-2-13-9(5)4-7(6)11/h3-4,8,12H,1-2H2/t8-/m1/s1
InChIKeyTZOWSGOGANSFHA-MRVPVSSYSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 82717481) is (4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CCOc2cc(F)c(Cl)cc21.
What is the InChIKey of (4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is TZOWSGOGANSFHA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c10-6-3-5-8(12)1-2-13-9(5)4-7(6)11/h3-4,8,12H,1-2H2/t8-/m1/s1.
What are the key properties of (4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 202.61 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82717481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).