1-(2,2-difluoro-2-phenylethyl)-7-ethylindole

C18H17F2N — CID 116790673

IUPAC1-(2,2-difluoro-2-phenylethyl)-7-ethylindole
SMILESCCc1cccc2ccn(CC(F)(F)c3ccccc3)c12
InChIInChI=1S/C18H17F2N/c1-2-14-7-6-8-15-11-12-21(17(14)15)13-18(19,20)16-9-4-3-5-10-16/h3-12H,2,13H2,1H3
InChIKeyPADPVUSZTUCKBM-UHFFFAOYSA-N
MW285.34 g/mol
LogP5.00
Rot. Bonds4

About 1-(2,2-difluoro-2-phenylethyl)-7-ethylindole

1-(2,2-difluoro-2-phenylethyl)-7-ethylindole (PubChem CID 116790673) has the molecular formula C18H17F2N and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)-7-ethylindole.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)-7-ethylindole
PubChem CID116790673
Molecular FormulaC18H17F2N
Molecular Weight285.34 g/mol
Exact Mass285.13
IUPAC Name1-(2,2-difluoro-2-phenylethyl)-7-ethylindole
SMILESCCc1cccc2ccn(CC(F)(F)c3ccccc3)c12
InChIInChI=1S/C18H17F2N/c1-2-14-7-6-8-15-11-12-21(17(14)15)13-18(19,20)16-9-4-3-5-10-16/h3-12H,2,13H2,1H3
InChIKeyPADPVUSZTUCKBM-UHFFFAOYSA-N
XLogP5.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
1-[(2-bromophenyl)methyl]-7-ethylindole
CID 116618984
7-ethyl-1-prop-2-ynylindole
CID 116618856
3-(7-ethylindol-1-yl)-1-phenylpropan-1-one
CID 116691880
N-ethyl-2-(7-ethylindol-1-yl)ethanamine
CID 62562665
7-ethyl-1-(2-propoxyethyl)indole
CID 106458036
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491
2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine
CID 102915151
1-(2-tert-butylsulfonylethyl)-7-ethylindole
CID 106731619
3-[7-(ethylaminomethyl)indol-1-yl]-2,2-dimethylpropanoic acid
CID 102914180
1-(1-ethylindol-7-yl)propan-2-one
CID 115106501

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-7-ethylindole?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-7-ethylindole (CID 116790673) is 1-(2,2-difluoro-2-phenylethyl)-7-ethylindole.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)-7-ethylindole?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)-7-ethylindole is CCc1cccc2ccn(CC(F)(F)c3ccccc3)c12.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)-7-ethylindole?
The InChIKey is PADPVUSZTUCKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N/c1-2-14-7-6-8-15-11-12-21(17(14)15)13-18(19,20)16-9-4-3-5-10-16/h3-12H,2,13H2,1H3.
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)-7-ethylindole?
1-(2,2-difluoro-2-phenylethyl)-7-ethylindole has a molecular weight of 285.34 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylethyl)-7-ethylindole is sourced from PubChem (CID 116790673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).