1-(2,2-difluoroethyl)-6-methylindole

C11H11F2N — CID 116546869

IUPAC1-(2,2-difluoroethyl)-6-methylindole
SMILESCc1ccc2ccn(CC(F)F)c2c1
InChIInChI=1S/C11H11F2N/c1-8-2-3-9-4-5-14(7-11(12)13)10(9)6-8/h2-6,11H,7H2,1H3
InChIKeyOYKOTQVWBWYCPL-UHFFFAOYSA-N
MW195.21 g/mol
LogP3.21
Rot. Bonds2

About 1-(2,2-difluoroethyl)-6-methylindole

1-(2,2-difluoroethyl)-6-methylindole (PubChem CID 116546869) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-methylindole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-methylindole
PubChem CID116546869
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name1-(2,2-difluoroethyl)-6-methylindole
SMILESCc1ccc2ccn(CC(F)F)c2c1
InChIInChI=1S/C11H11F2N/c1-8-2-3-9-4-5-14(7-11(12)13)10(9)6-8/h2-6,11H,7H2,1H3
InChIKeyOYKOTQVWBWYCPL-UHFFFAOYSA-N
XLogP3.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-diethoxyethyl)-6-methylindole
CID 55249362
1-bromo-3-(6-methylindol-1-yl)propan-2-ol
CID 130577128
2-amino-3-(6-methylindol-1-yl)propanoic acid
CID 65442621
1-(2-bromoethyl)-6-methylindole
CID 130577129
ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate
CID 82777232
6-methyl-1-(4,4,4-trifluorobutyl)indole
CID 116546672
1-(6-fluoroindol-1-yl)propan-2-ol
CID 10488020
1-decyl-6-methylindole
CID 116546893
1-cyclopropyl-2-(6-methylindol-1-yl)ethanone
CID 63914817
6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 116546655
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
[2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine
CID 107878759

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-methylindole?
The IUPAC name of 1-(2,2-difluoroethyl)-6-methylindole (CID 116546869) is 1-(2,2-difluoroethyl)-6-methylindole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-methylindole?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-methylindole is Cc1ccc2ccn(CC(F)F)c2c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-methylindole?
The InChIKey is OYKOTQVWBWYCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-8-2-3-9-4-5-14(7-11(12)13)10(9)6-8/h2-6,11H,7H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-6-methylindole?
1-(2,2-difluoroethyl)-6-methylindole has a molecular weight of 195.21 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-methylindole is sourced from PubChem (CID 116546869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).