6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one

C16H11ClF2O2 — CID 114672815

IUPAC6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(C(F)F)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H11ClF2O2/c17-11-4-5-14-12(7-11)13(20)8-15(21-14)9-2-1-3-10(6-9)16(18)19/h1-7,15-16H,8H2
InChIKeyHIIFKOKGQZWORW-UHFFFAOYSA-N
MW308.71 g/mol
LogP4.98
Rot. Bonds2

About 6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one

6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one (PubChem CID 114672815) has the molecular formula C16H11ClF2O2 and a molecular weight of 308.71 g/mol. Its IUPAC name is 6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one
PubChem CID114672815
Molecular FormulaC16H11ClF2O2
Molecular Weight308.71 g/mol
Exact Mass308.04
IUPAC Name6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccc(C(F)F)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H11ClF2O2/c17-11-4-5-14-12(7-11)13(20)8-15(21-14)9-2-1-3-10(6-9)16(18)19/h1-7,15-16H,8H2
InChIKeyHIIFKOKGQZWORW-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.71
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(3,5-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 114672721
6-chloro-2-(3,5-difluorophenyl)-2,3-dihydrochromen-4-one
CID 106534728
6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 114672781
6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114672978
6-chloro-2-(3-chloro-2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114672674
6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114672657
6-chloro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672943
6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one
CID 82046236
6-bromo-2-(2-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one
CID 114674168
6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674234
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390
(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 77105169

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one (CID 114672815) is 6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one is O=C1CC(c2cccc(C(F)F)c2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one?
The InChIKey is HIIFKOKGQZWORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2O2/c17-11-4-5-14-12(7-11)13(20)8-15(21-14)9-2-1-3-10(6-9)16(18)19/h1-7,15-16H,8H2.
What are the key properties of 6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one?
6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one has a molecular weight of 308.71 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).