2-chloro-1-ethyl-5-fluoro-3-methylindole

C11H11ClFN — CID 117127777

IUPAC2-chloro-1-ethyl-5-fluoro-3-methylindole
SMILESCCn1c(Cl)c(C)c2cc(F)ccc21
InChIInChI=1S/C11H11ClFN/c1-3-14-10-5-4-8(13)6-9(10)7(2)11(14)12/h4-6H,3H2,1-2H3
InChIKeyUUGIPJIDCFQTPB-UHFFFAOYSA-N
MW211.67 g/mol
LogP3.76
Rot. Bonds1

About 2-chloro-1-ethyl-5-fluoro-3-methylindole

2-chloro-1-ethyl-5-fluoro-3-methylindole (PubChem CID 117127777) has the molecular formula C11H11ClFN and a molecular weight of 211.67 g/mol. Its IUPAC name is 2-chloro-1-ethyl-5-fluoro-3-methylindole.

Molecular Properties

Compound Name2-chloro-1-ethyl-5-fluoro-3-methylindole
PubChem CID117127777
Molecular FormulaC11H11ClFN
Molecular Weight211.67 g/mol
Exact Mass211.06
IUPAC Name2-chloro-1-ethyl-5-fluoro-3-methylindole
SMILESCCn1c(Cl)c(C)c2cc(F)ccc21
InChIInChI=1S/C11H11ClFN/c1-3-14-10-5-4-8(13)6-9(10)7(2)11(14)12/h4-6H,3H2,1-2H3
InChIKeyUUGIPJIDCFQTPB-UHFFFAOYSA-N
XLogP3.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane
CID 143174379
3-chloro-2-ethyl-5-fluoroindazole
CID 84721028
1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylindole-2-carboxylic acid
CID 19914749
5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole
CID 138662832
2-chloro-5-fluoro-1-propylindole-3-carboxylic acid
CID 82268779
5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole
CID 155782109
3-(5-fluoro-2,3-dimethylindol-1-yl)propanenitrile
CID 12793100
1-butyl-2-chloro-5-fluoroindole-3-carboxylic acid
CID 82268795
methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylindole-2-carboxylate
CID 15678784
1-[9-ethyl-6-(4-fluoro-2-methylbenzoyl)carbazol-3-yl]ethanone
CID 59012247
1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol
CID 123728386
2-chloro-5-fluoro-1-(2-methylpropyl)indole-3-carboxylic acid
CID 82268787

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethyl-5-fluoro-3-methylindole?
The IUPAC name of 2-chloro-1-ethyl-5-fluoro-3-methylindole (CID 117127777) is 2-chloro-1-ethyl-5-fluoro-3-methylindole.
What is the SMILES notation for 2-chloro-1-ethyl-5-fluoro-3-methylindole?
The canonical SMILES for 2-chloro-1-ethyl-5-fluoro-3-methylindole is CCn1c(Cl)c(C)c2cc(F)ccc21.
What is the InChIKey of 2-chloro-1-ethyl-5-fluoro-3-methylindole?
The InChIKey is UUGIPJIDCFQTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN/c1-3-14-10-5-4-8(13)6-9(10)7(2)11(14)12/h4-6H,3H2,1-2H3.
What are the key properties of 2-chloro-1-ethyl-5-fluoro-3-methylindole?
2-chloro-1-ethyl-5-fluoro-3-methylindole has a molecular weight of 211.67 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethyl-5-fluoro-3-methylindole is sourced from PubChem (CID 117127777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).