5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine

C10H11ClFNO — CID 82716208

IUPAC5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2cc(F)c(Cl)cc2C1N
InChIInChI=1S/C10H11ClFNO/c1-2-8-10(13)5-3-6(11)7(12)4-9(5)14-8/h3-4,8,10H,2,13H2,1H3
InChIKeyLDPOZZVMGXMXMI-UHFFFAOYSA-N
MW215.65 g/mol
LogP2.65
Rot. Bonds1

About 5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine

5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 82716208) has the molecular formula C10H11ClFNO and a molecular weight of 215.65 g/mol. Its IUPAC name is 5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
PubChem CID82716208
Molecular FormulaC10H11ClFNO
Molecular Weight215.65 g/mol
Exact Mass215.05
IUPAC Name5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2cc(F)c(Cl)cc2C1N
InChIInChI=1S/C10H11ClFNO/c1-2-8-10(13)5-3-6(11)7(12)4-9(5)14-8/h3-4,8,10H,2,13H2,1H3
InChIKeyLDPOZZVMGXMXMI-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(4-chlorophenoxy)-5-fluorophenyl)-N-methylethanamine
CID 9814248
3-Amino-2,3-dihydrobenzofuran
CID 13778152
N-[2-(allyloxy)-5-chlorobenzyl]cyclopentanamine hydrochloride
CID 2959706
(R)-2-(4-chlorophenoxy)-1-phenylethanamine
CID 11253662
2-Benzofuranmethylamine, 2,3-dihydro-5-chloro-, hydrochloride
CID 34439
(S)-2-(4-chloro-2,6-dimethylphenoxy)-1-phenylethanamine
CID 11150055
(S)-2-(4-chlorophenoxy)-1-phenylethanamine
CID 11459294
(R)-6-Chlorochroman-4-amine
CID 42220764
2,3-Dihydro-1-benzofuran-3-amine hydrochloride
CID 47002508
6-Chlorochroman-4-amine hydrochloride
CID 52988847
5-Chloro-2,3-dihydro-1-benzofuran-3-amine--hydrogen chloride (1/1)
CID 53408125
6-Fluoro-2,3-dihydro-1-benzofuran-3-amine hydrochloride
CID 66927081

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine (CID 82716208) is 5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine is CCC1Oc2cc(F)c(Cl)cc2C1N.
What is the InChIKey of 5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is LDPOZZVMGXMXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-2-8-10(13)5-3-6(11)7(12)4-9(5)14-8/h3-4,8,10H,2,13H2,1H3.
What are the key properties of 5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine?
5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 215.65 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 82716208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).