1-(2,2-difluoroethyl)-7-ethylindole

C12H13F2N — CID 116618758

IUPAC1-(2,2-difluoroethyl)-7-ethylindole
SMILESCCc1cccc2ccn(CC(F)F)c12
InChIInChI=1S/C12H13F2N/c1-2-9-4-3-5-10-6-7-15(12(9)10)8-11(13)14/h3-7,11H,2,8H2,1H3
InChIKeyPOHNJUDQVOBKJO-UHFFFAOYSA-N
MW209.24 g/mol
LogP3.47
Rot. Bonds3

About 1-(2,2-difluoroethyl)-7-ethylindole

1-(2,2-difluoroethyl)-7-ethylindole (PubChem CID 116618758) has the molecular formula C12H13F2N and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-7-ethylindole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-7-ethylindole
PubChem CID116618758
Molecular FormulaC12H13F2N
Molecular Weight209.24 g/mol
Exact Mass209.10
IUPAC Name1-(2,2-difluoroethyl)-7-ethylindole
SMILESCCc1cccc2ccn(CC(F)F)c12
InChIInChI=1S/C12H13F2N/c1-2-9-4-3-5-10-6-7-15(12(9)10)8-11(13)14/h3-7,11H,2,8H2,1H3
InChIKeyPOHNJUDQVOBKJO-UHFFFAOYSA-N
XLogP3.47
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
7-ethyl-1-prop-2-ynylindole
CID 116618856
1-(2,2-difluoro-2-phenylethyl)-7-ethylindole
CID 116790673
1-[(2-bromophenyl)methyl]-7-ethylindole
CID 116618984
N-ethyl-2-(7-ethylindol-1-yl)ethanamine
CID 62562665
7-ethyl-1-(2-propoxyethyl)indole
CID 106458036
7-ethyl-1-(3-methylsulfanylpropyl)indole
CID 116618726
1-(3,5-dimethylphenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol
CID 70692727
4-(7-ethylindol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62563359
7-ethyl-1-(2-piperidin-1-ylethyl)indole
CID 116618924
1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine
CID 102917351

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-7-ethylindole?
The IUPAC name of 1-(2,2-difluoroethyl)-7-ethylindole (CID 116618758) is 1-(2,2-difluoroethyl)-7-ethylindole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-7-ethylindole?
The canonical SMILES for 1-(2,2-difluoroethyl)-7-ethylindole is CCc1cccc2ccn(CC(F)F)c12.
What is the InChIKey of 1-(2,2-difluoroethyl)-7-ethylindole?
The InChIKey is POHNJUDQVOBKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N/c1-2-9-4-3-5-10-6-7-15(12(9)10)8-11(13)14/h3-7,11H,2,8H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-7-ethylindole?
1-(2,2-difluoroethyl)-7-ethylindole has a molecular weight of 209.24 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-7-ethylindole is sourced from PubChem (CID 116618758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).