3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole

C12H12ClF2NO — CID 176573600

IUPAC3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole
SMILESCC(C)c1[nH]c2c(OC(F)F)cccc2c1Cl
InChIInChI=1S/C12H12ClF2NO/c1-6(2)10-9(13)7-4-3-5-8(11(7)16-10)17-12(14)15/h3-6,12,16H,1-2H3
InChIKeyBDDNMZCHIIILJR-UHFFFAOYSA-N
MW259.68 g/mol
LogP4.55
Rot. Bonds3

About 3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole

3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole (PubChem CID 176573600) has the molecular formula C12H12ClF2NO and a molecular weight of 259.68 g/mol. Its IUPAC name is 3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole
PubChem CID176573600
Molecular FormulaC12H12ClF2NO
Molecular Weight259.68 g/mol
Exact Mass259.06
IUPAC Name3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole
SMILESCC(C)c1[nH]c2c(OC(F)F)cccc2c1Cl
InChIInChI=1S/C12H12ClF2NO/c1-6(2)10-9(13)7-4-3-5-8(11(7)16-10)17-12(14)15/h3-6,12,16H,1-2H3
InChIKeyBDDNMZCHIIILJR-UHFFFAOYSA-N
XLogP4.55
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole?
The IUPAC name of 3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole (CID 176573600) is 3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole.
What is the SMILES notation for 3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole?
The canonical SMILES for 3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole is CC(C)c1[nH]c2c(OC(F)F)cccc2c1Cl.
What is the InChIKey of 3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole?
The InChIKey is BDDNMZCHIIILJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO/c1-6(2)10-9(13)7-4-3-5-8(11(7)16-10)17-12(14)15/h3-6,12,16H,1-2H3.
What are the key properties of 3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole?
3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole has a molecular weight of 259.68 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(difluoromethoxy)-2-propan-2-yl-1H-indole is sourced from PubChem (CID 176573600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).