6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol

C18H16F2O3 — CID 159963364

IUPAC6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESFc1ccc2c(c1)C=CCO2.OC1CCOc2ccc(F)cc21
InChIInChI=1S/C9H9FO2.C9H7FO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9;10-8-3-4-9-7(6-8)2-1-5-11-9/h1-2,5,8,11H,3-4H2;1-4,6H,5H2
InChIKeyODPPHJXKNIXNRX-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.87
Rot. Bonds

About 6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol

6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 159963364) has the molecular formula C18H16F2O3 and a molecular weight of 318.32 g/mol. Its IUPAC name is 6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID159963364
Molecular FormulaC18H16F2O3
Molecular Weight318.32 g/mol
Exact Mass318.11
IUPAC Name6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESFc1ccc2c(c1)C=CCO2.OC1CCOc2ccc(F)cc21
InChIInChI=1S/C9H9FO2.C9H7FO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9;10-8-3-4-9-7(6-8)2-1-5-11-9/h1-2,5,8,11H,3-4H2;1-4,6H,5H2
InChIKeyODPPHJXKNIXNRX-UHFFFAOYSA-N
XLogP3.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408
(4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol
CID 58909283
6-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-4-ol
CID 67687802
7-fluoro-1,2-dihydronaphthalen-1-ol
CID 130149519
(4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 82717481
methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
CID 14986536
(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241121
N-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine
CID 174418933
(4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 79014479
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
(2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol
CID 63709739
2H-chromene;fluoromethane
CID 88608923

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 159963364) is 6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol is Fc1ccc2c(c1)C=CCO2.OC1CCOc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ODPPHJXKNIXNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2.C9H7FO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9;10-8-3-4-9-7(6-8)2-1-5-11-9/h1-2,5,8,11H,3-4H2;1-4,6H,5H2.
What are the key properties of 6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol?
6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 318.32 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 159963364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).