7-chloro-5-fluoro-3-methyl-1H-indole;ethane

C11H13ClFN — CID 143713524

IUPAC7-chloro-5-fluoro-3-methyl-1H-indole;ethane
SMILESCC.Cc1c[nH]c2c(Cl)cc(F)cc12
InChIInChI=1S/C9H7ClFN.C2H6/c1-5-4-12-9-7(5)2-6(11)3-8(9)10;1-2/h2-4,12H,1H3;1-2H3
InChIKeyWDDOMXUEFHLMSL-UHFFFAOYSA-N
MW213.68 g/mol
LogP4.30
Rot. Bonds

About 7-chloro-5-fluoro-3-methyl-1H-indole;ethane

7-chloro-5-fluoro-3-methyl-1H-indole;ethane (PubChem CID 143713524) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 7-chloro-5-fluoro-3-methyl-1H-indole;ethane.

Molecular Properties

Compound Name7-chloro-5-fluoro-3-methyl-1H-indole;ethane
PubChem CID143713524
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name7-chloro-5-fluoro-3-methyl-1H-indole;ethane
SMILESCC.Cc1c[nH]c2c(Cl)cc(F)cc12
InChIInChI=1S/C9H7ClFN.C2H6/c1-5-4-12-9-7(5)2-6(11)3-8(9)10;1-2/h2-4,12H,1H3;1-2H3
InChIKeyWDDOMXUEFHLMSL-UHFFFAOYSA-N
XLogP4.30
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-chloro-7-fluoro-3-methyl-1H-indole;ethane
CID 145012762
3-(7-chloro-3-methyl-1H-indol-5-yl)butanal
CID 117343947
1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine
CID 117411581
5-chloro-6-fluoro-3-methyl-1H-indole
CID 118084325
5-bromo-7-fluoro-3-methyl-1H-indole
CID 130050132
7-chloro-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
CID 168941761
4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine
CID 117372446
(5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane
CID 158503902
ethane;6-fluoro-3-methyl-1H-indole
CID 142460316
N-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide
CID 66917923
7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
CID 168941786
methyl (E)-4-(5-fluoro-3-methyl-1H-indol-7-yl)but-3-enoate
CID 89320664

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-3-methyl-1H-indole;ethane?
The IUPAC name of 7-chloro-5-fluoro-3-methyl-1H-indole;ethane (CID 143713524) is 7-chloro-5-fluoro-3-methyl-1H-indole;ethane.
What is the SMILES notation for 7-chloro-5-fluoro-3-methyl-1H-indole;ethane?
The canonical SMILES for 7-chloro-5-fluoro-3-methyl-1H-indole;ethane is CC.Cc1c[nH]c2c(Cl)cc(F)cc12.
What is the InChIKey of 7-chloro-5-fluoro-3-methyl-1H-indole;ethane?
The InChIKey is WDDOMXUEFHLMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN.C2H6/c1-5-4-12-9-7(5)2-6(11)3-8(9)10;1-2/h2-4,12H,1H3;1-2H3.
What are the key properties of 7-chloro-5-fluoro-3-methyl-1H-indole;ethane?
7-chloro-5-fluoro-3-methyl-1H-indole;ethane has a molecular weight of 213.68 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-3-methyl-1H-indole;ethane is sourced from PubChem (CID 143713524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).