8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride

C9H7Cl2FO2 — CID 127263941

IUPAC8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride
SMILESCl.O=C1CCOc2c(Cl)ccc(F)c21
InChIInChI=1S/C9H6ClFO2.ClH/c10-5-1-2-6(11)8-7(12)3-4-13-9(5)8;/h1-2H,3-4H2;1H
InChIKeyRFUJXGHWUSEIRG-UHFFFAOYSA-N
MW237.06 g/mol
LogP2.87
Rot. Bonds

About 8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride

8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride (PubChem CID 127263941) has the molecular formula C9H7Cl2FO2 and a molecular weight of 237.06 g/mol. Its IUPAC name is 8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride.

Molecular Properties

Compound Name8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride
PubChem CID127263941
Molecular FormulaC9H7Cl2FO2
Molecular Weight237.06 g/mol
Exact Mass235.98
IUPAC Name8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride
SMILESCl.O=C1CCOc2c(Cl)ccc(F)c21
InChIInChI=1S/C9H6ClFO2.ClH/c10-5-1-2-6(11)8-7(12)3-4-13-9(5)8;/h1-2H,3-4H2;1H
InChIKeyRFUJXGHWUSEIRG-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-8-methyl-2,3-dihydrochromen-4-one
CID 55273706
(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252255
(4R)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 130501634
8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 143663627
5-bromo-8-methyl-2,3-dihydrochromen-4-one
CID 103693810
3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione
CID 54769974
8-fluoro-6-methyl-2,3-dihydrochromen-4-one
CID 55297608
8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one
CID 43154972
6-fluoro-2,3-dihydrobenzo[h]chromen-4-one
CID 175094711
8-chloro-2,3-dihydrochromen-4-one;8-chloro-6-iodo-2,3-dihydrochromen-4-one
CID 161160908
6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one
CID 156871065
6-chloro-8-nitro-2,3-dihydrochromen-4-one
CID 130038992

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride?
The IUPAC name of 8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride (CID 127263941) is 8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride.
What is the SMILES notation for 8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride?
The canonical SMILES for 8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride is Cl.O=C1CCOc2c(Cl)ccc(F)c21.
What is the InChIKey of 8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride?
The InChIKey is RFUJXGHWUSEIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFO2.ClH/c10-5-1-2-6(11)8-7(12)3-4-13-9(5)8;/h1-2H,3-4H2;1H.
What are the key properties of 8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride?
8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride has a molecular weight of 237.06 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride is sourced from PubChem (CID 127263941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).