1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran

C12H10ClFO — CID 167223164

IUPAC1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran
SMILESFc1cccc2c1OC1C=CCC(Cl)C21
InChIInChI=1S/C12H10ClFO/c13-8-4-2-6-10-11(8)7-3-1-5-9(14)12(7)15-10/h1-3,5-6,8,10-11H,4H2
InChIKeyRMPXXIWWIMXZRP-UHFFFAOYSA-N
MW224.66 g/mol
LogP3.24
Rot. Bonds

About 1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran

1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran (PubChem CID 167223164) has the molecular formula C12H10ClFO and a molecular weight of 224.66 g/mol. Its IUPAC name is 1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran.

Molecular Properties

Compound Name1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran
PubChem CID167223164
Molecular FormulaC12H10ClFO
Molecular Weight224.66 g/mol
Exact Mass224.04
IUPAC Name1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran
SMILESFc1cccc2c1OC1C=CCC(Cl)C21
InChIInChI=1S/C12H10ClFO/c13-8-4-2-6-10-11(8)7-3-1-5-9(14)12(7)15-10/h1-3,5-6,8,10-11H,4H2
InChIKeyRMPXXIWWIMXZRP-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran
CID 178110207
(2S)-3-(1-chloropropyl)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran
CID 167223494
N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 112716014
7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid
CID 83907940
(3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran
CID 18601286
(4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene
CID 89270556
1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
CID 83907816
7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81480868
(2R,3S)-3-chloro-7-fluoro-2'-phenylspiro[3H-1-benzofuran-2,5'-4H-1,3-oxazole]
CID 132518610
(3aR,9R,9aR)-9-(4-fluorophenyl)-1,3a,9,9a-tetrahydrocyclopenta[b]chromene
CID 132849770
7-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511838
4,13-difluoro-2,11-dioxa-20-thiatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaene
CID 123552832

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran?
The IUPAC name of 1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran (CID 167223164) is 1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran.
What is the SMILES notation for 1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran?
The canonical SMILES for 1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran is Fc1cccc2c1OC1C=CCC(Cl)C21.
What is the InChIKey of 1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran?
The InChIKey is RMPXXIWWIMXZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO/c13-8-4-2-6-10-11(8)7-3-1-5-9(14)12(7)15-10/h1-3,5-6,8,10-11H,4H2.
What are the key properties of 1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran?
1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran has a molecular weight of 224.66 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-fluoro-1,2,4a,9b-tetrahydrodibenzofuran is sourced from PubChem (CID 167223164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).