1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole

C17H15F2NO — CID 116623901

IUPAC1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole
SMILESCCOc1ccc2c(ccn2Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H15F2NO/c1-2-21-14-4-6-17-13(10-14)7-8-20(17)11-12-3-5-15(18)16(19)9-12/h3-10H,2,11H2,1H3
InChIKeyJYRQVCMEJPGIAK-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.37
Rot. Bonds4

About 1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole

1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole (PubChem CID 116623901) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole
PubChem CID116623901
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole
SMILESCCOc1ccc2c(ccn2Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H15F2NO/c1-2-21-14-4-6-17-13(10-14)7-8-20(17)11-12-3-5-15(18)16(19)9-12/h3-10H,2,11H2,1H3
InChIKeyJYRQVCMEJPGIAK-UHFFFAOYSA-N
XLogP4.37
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662
1-[1-[(3,4-difluorophenyl)methyl]indol-5-yl]-N-methylmethanamine
CID 82926335
1-[(3-fluorophenyl)methyl]-5-propoxyindole
CID 116625580
1-[(3-bromothiophen-2-yl)methyl]-5-ethoxyindole
CID 116624048
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
CID 110830948
1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione
CID 95917552
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
5-[(5-ethoxyindol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 116624074
3-(5-ethoxyindol-1-yl)propanal
CID 80643533
4-(5-ethoxyindol-1-yl)butan-2-ol
CID 116624097
3-[(5-propoxyindol-1-yl)methyl]aniline
CID 80648798

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole (CID 116623901) is 1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole is CCOc1ccc2c(ccn2Cc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole?
The InChIKey is JYRQVCMEJPGIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-2-21-14-4-6-17-13(10-14)7-8-20(17)11-12-3-5-15(18)16(19)9-12/h3-10H,2,11H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole?
1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole has a molecular weight of 287.31 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-5-ethoxyindole is sourced from PubChem (CID 116623901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).