9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran

C12H8ClFO — CID 167223766

IUPAC9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran
SMILESFC1=CC2c3c(Cl)cccc3OC2C=C1
InChIInChI=1S/C12H8ClFO/c13-9-2-1-3-11-12(9)8-6-7(14)4-5-10(8)15-11/h1-6,8,10H
InChIKeyRPMKSPNUORJFBJ-UHFFFAOYSA-N
MW222.65 g/mol
LogP3.61
Rot. Bonds

About 9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran

9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran (PubChem CID 167223766) has the molecular formula C12H8ClFO and a molecular weight of 222.65 g/mol. Its IUPAC name is 9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran.

Molecular Properties

Compound Name9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran
PubChem CID167223766
Molecular FormulaC12H8ClFO
Molecular Weight222.65 g/mol
Exact Mass222.02
IUPAC Name9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran
SMILESFC1=CC2c3c(Cl)cccc3OC2C=C1
InChIInChI=1S/C12H8ClFO/c13-9-2-1-3-11-12(9)8-6-7(14)4-5-10(8)15-11/h1-6,8,10H
InChIKeyRPMKSPNUORJFBJ-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 76749
5-Chloro-2,3-dihydro-1-benzofuran
CID 592964
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CID 172551
Benzyl 3-chlorophenyl ether
CID 13702
1-Chloro-2-(phenoxymethyl)benzene
CID 7746258
5-Chloro-2-methyl-2,3-dihydro-1-benzofuran
CID 597779
1,2,3,4,4a,9b-Hexahydrodibenzofuran
CID 12411097
2-Ethyl-3-methyl-2,3-dihydrobenzofuran
CID 12705306
6-Chloro-2,2-dimethyl-2,3-dihydro-1-benzofuran
CID 13333889
2-Chloro-2'-methoxy-1,1'-biphenyl
CID 23443509
5-Chloro-2-(iodomethyl)-2,3-dihydro-1-benzofuran
CID 23636320
1-(3-Chlorophenoxymethyl)-4-fluorobenzene
CID 60627868

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran?
The IUPAC name of 9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran (CID 167223766) is 9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran.
What is the SMILES notation for 9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran?
The canonical SMILES for 9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran is FC1=CC2c3c(Cl)cccc3OC2C=C1.
What is the InChIKey of 9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran?
The InChIKey is RPMKSPNUORJFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO/c13-9-2-1-3-11-12(9)8-6-7(14)4-5-10(8)15-11/h1-6,8,10H.
What are the key properties of 9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran?
9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran has a molecular weight of 222.65 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-fluoro-4a,9b-dihydrodibenzofuran is sourced from PubChem (CID 167223766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).