(3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one

C10H9FO2 — CID 97050179

IUPAC(3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one
SMILESC[C@@H]1COc2cc(F)ccc2C1=O
InChIInChI=1S/C10H9FO2/c1-6-5-13-9-4-7(11)2-3-8(9)10(6)12/h2-4,6H,5H2,1H3/t6-/m1/s1
InChIKeySDPREMONJIJSAW-ZCFIWIBFSA-N
MW180.18 g/mol
LogP2.04
Rot. Bonds

About (3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one

(3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one (PubChem CID 97050179) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is (3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one
PubChem CID97050179
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name(3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one
SMILESC[C@@H]1COc2cc(F)ccc2C1=O
InChIInChI=1S/C10H9FO2/c1-6-5-13-9-4-7(11)2-3-8(9)10(6)12/h2-4,6H,5H2,1H3/t6-/m1/s1
InChIKeySDPREMONJIJSAW-ZCFIWIBFSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130039343
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CID 170958990
(3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one
CID 59318441
ethyl 2-(7-fluoro-4-oxo-2,3-dihydrochromen-3-yl)-2-oxoacetate
CID 67304517
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ethane;6-fluoro-3-methyl-2,3-dihydro-1,4-benzodioxine
CID 144624453
1-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)propane-1,2-dione
CID 58859533
acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 154678052
6-fluoro-3-methyl-1-oxo-2,3-dihydrothiochromen-4-one
CID 61286450
7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone
CID 102202796
6-fluoro-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-2,3-dihydrochromen-4-one
CID 175050793

Frequently Asked Questions

What is the IUPAC name of (3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of (3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one (CID 97050179) is (3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one is C[C@@H]1COc2cc(F)ccc2C1=O.
What is the InChIKey of (3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one?
The InChIKey is SDPREMONJIJSAW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H9FO2/c1-6-5-13-9-4-7(11)2-3-8(9)10(6)12/h2-4,6H,5H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one?
(3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one has a molecular weight of 180.18 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 97050179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).