(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol

C9H8F2O2 — CID 64985321

IUPAC(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CCOc2cc(F)cc(F)c21
InChIInChI=1S/C9H8F2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4,7,12H,1-2H2/t7-/m0/s1
InChIKeyHGTYMLFMXKYIQW-ZETCQYMHSA-N
MW186.16 g/mol
LogP1.78
Rot. Bonds

About (4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol

(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 64985321) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is (4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID64985321
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CCOc2cc(F)cc(F)c21
InChIInChI=1S/C9H8F2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4,7,12H,1-2H2/t7-/m0/s1
InChIKeyHGTYMLFMXKYIQW-ZETCQYMHSA-N
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mephenesin
CID 4059
Xanthydrol
CID 72861
2-Methoxybenzyl alcohol
CID 69154
Benzenemethanol, 2-(phenylmethoxy)-
CID 18811
Chroman-4-ol
CID 92890
3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-1-benzopyran-4-ol
CID 24252761
1,2-Propanediol, 3-(o-ethylphenoxy)-
CID 98049
Benzenemethanol, 2-ethoxy-
CID 51381
2-Phenoxybenzyl alcohol
CID 3660111
2-Methoxybenzhydryl alcohol
CID 90839
3,4-Dihydro-6-methyl-2H-1-benzopyran-4-ol
CID 12328973
Chroman
CID 136319

Frequently Asked Questions

What is the IUPAC name of (4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol (CID 64985321) is (4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CCOc2cc(F)cc(F)c21.
What is the InChIKey of (4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HGTYMLFMXKYIQW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H8F2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4,7,12H,1-2H2/t7-/m0/s1.
What are the key properties of (4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol?
(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 186.16 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 64985321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).