1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole

C18H17ClFN — CID 110831051

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole
SMILESCC(C)c1ccc2c(ccn2Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H17ClFN/c1-12(2)13-6-7-18-14(10-13)8-9-21(18)11-15-16(19)4-3-5-17(15)20/h3-10,12H,11H2,1-2H3
InChIKeyJLHHSQJRDIVQDT-UHFFFAOYSA-N
MW301.79 g/mol
LogP5.61
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole

1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole (PubChem CID 110831051) has the molecular formula C18H17ClFN and a molecular weight of 301.79 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole
PubChem CID110831051
Molecular FormulaC18H17ClFN
Molecular Weight301.79 g/mol
Exact Mass301.10
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole
SMILESCC(C)c1ccc2c(ccn2Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H17ClFN/c1-12(2)13-6-7-18-14(10-13)8-9-21(18)11-15-16(19)4-3-5-17(15)20/h3-10,12H,11H2,1-2H3
InChIKeyJLHHSQJRDIVQDT-UHFFFAOYSA-N
XLogP5.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.79
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623355
1-[(2,6-difluorophenyl)methyl]indole
CID 22256904
1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile
CID 91690059
1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde
CID 102910670
7-chloro-1-[(2,6-difluorophenyl)methyl]indole
CID 103475121
1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole
CID 82795364
ethyl 4-[(5-propan-2-ylindol-1-yl)methyl]benzoate
CID 110831059
1-[(2-chloro-6-fluorophenyl)methyl]-2,3-dimethylimidazol-3-ium iodide
CID 167683507
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole
CID 7561389
1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione
CID 22520406
1-[(2-chloro-6-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione
CID 22520458

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole (CID 110831051) is 1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole is CC(C)c1ccc2c(ccn2Cc2c(F)cccc2Cl)c1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole?
The InChIKey is JLHHSQJRDIVQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN/c1-12(2)13-6-7-18-14(10-13)8-9-21(18)11-15-16(19)4-3-5-17(15)20/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole?
1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole has a molecular weight of 301.79 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-5-propan-2-ylindole is sourced from PubChem (CID 110831051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).