3-(1,1-difluoropropyl)-1H-indole

C11H11F2N — CID 116841267

IUPAC3-(1,1-difluoropropyl)-1H-indole
SMILESCCC(F)(F)c1c[nH]c2ccccc12
InChIInChI=1S/C11H11F2N/c1-2-11(12,13)9-7-14-10-6-4-3-5-8(9)10/h3-7,14H,2H2,1H3
InChIKeyXMNDCSLUCQVGNP-UHFFFAOYSA-N
MW195.21 g/mol
LogP3.67
Rot. Bonds2

About 3-(1,1-difluoropropyl)-1H-indole

3-(1,1-difluoropropyl)-1H-indole (PubChem CID 116841267) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-(1,1-difluoropropyl)-1H-indole.

Molecular Properties

Compound Name3-(1,1-difluoropropyl)-1H-indole
PubChem CID116841267
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name3-(1,1-difluoropropyl)-1H-indole
SMILESCCC(F)(F)c1c[nH]c2ccccc12
InChIInChI=1S/C11H11F2N/c1-2-11(12,13)9-7-14-10-6-4-3-5-8(9)10/h3-7,14H,2H2,1H3
InChIKeyXMNDCSLUCQVGNP-UHFFFAOYSA-N
XLogP3.67
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-difluoro-2-(1H-indol-3-yl)ethanol
CID 116841147
3-[1,1-bis(1H-indol-3-yl)butyl]-1H-indole
CID 20847832
2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
2,2,2-tris(1H-indol-3-yl)ethanol
CID 146232723
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
dimethyl 2-ethyl-2-(1H-indol-3-yl)propanedioate
CID 12548172
(2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol
CID 51922084
2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide
CID 175366507
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
CID 42624729
5-methyl-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
CID 176897889
2-(1H-indol-3-yl)-2-phenylpropan-1-amine
CID 102100966
2-(1H-indol-3-yl)-2-methylpropanedioic acid
CID 70075508

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropyl)-1H-indole?
The IUPAC name of 3-(1,1-difluoropropyl)-1H-indole (CID 116841267) is 3-(1,1-difluoropropyl)-1H-indole.
What is the SMILES notation for 3-(1,1-difluoropropyl)-1H-indole?
The canonical SMILES for 3-(1,1-difluoropropyl)-1H-indole is CCC(F)(F)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1,1-difluoropropyl)-1H-indole?
The InChIKey is XMNDCSLUCQVGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-2-11(12,13)9-7-14-10-6-4-3-5-8(9)10/h3-7,14H,2H2,1H3.
What are the key properties of 3-(1,1-difluoropropyl)-1H-indole?
3-(1,1-difluoropropyl)-1H-indole has a molecular weight of 195.21 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropyl)-1H-indole is sourced from PubChem (CID 116841267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).