5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol

C9H8ClFO2 — CID 130760315

IUPAC5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CCOc2c(F)ccc(Cl)c21
InChIInChI=1S/C9H8ClFO2/c10-5-1-2-6(11)9-8(5)7(12)3-4-13-9/h1-2,7,12H,3-4H2
InChIKeySBKGDIDIXHZGFI-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.30
Rot. Bonds

About 5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol

5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 130760315) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID130760315
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CCOc2c(F)ccc(Cl)c21
InChIInChI=1S/C9H8ClFO2/c10-5-1-2-6(11)9-8(5)7(12)3-4-13-9/h1-2,7,12H,3-4H2
InChIKeySBKGDIDIXHZGFI-UHFFFAOYSA-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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Related Compounds

7-Chlorochroman-4-ol
CID 76851067
(3R,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45267246
(3S,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45270670
(3R,4R)-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol
CID 45272393
(4R)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-ol
CID 45075740
(4R)-8-fluoro-3,4-dihydro-2H-1-benzopyran-4-ol
CID 47003481
1-(2-Chloro-6-methoxyphenyl)ethan-1-ol
CID 57812675
5-chloro-6-iodo-3,4-dihydro-2H-1-benzopyran
CID 59606716
(4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-ol
CID 64985321
(4R)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-ol
CID 75356582
7-Chloro-4-methyl-2,3-dihydrochromen-4-ol
CID 172452385
7-Chloro-4-cyclopropyl-2,3-dihydrochromen-4-ol
CID 172452812

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 130760315) is 5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol is OC1CCOc2c(F)ccc(Cl)c21.
What is the InChIKey of 5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is SBKGDIDIXHZGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c10-5-1-2-6(11)9-8(5)7(12)3-4-13-9/h1-2,7,12H,3-4H2.
What are the key properties of 5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol?
5-chloro-8-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 5-chloro-8-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 130760315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).