3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole

C14H9F2NO — CID 172643199

IUPAC3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole
SMILESFC(F)=C(c1ccco1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H9F2NO/c15-14(16)13(12-6-3-7-18-12)10-8-17-11-5-2-1-4-9(10)11/h1-8,17H
InChIKeyBKPLPHLUKAZSHN-UHFFFAOYSA-N
MW245.23 g/mol
LogP4.42
Rot. Bonds2

About 3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole

3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole (PubChem CID 172643199) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole.

Molecular Properties

Compound Name3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole
PubChem CID172643199
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole
SMILESFC(F)=C(c1ccco1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H9F2NO/c15-14(16)13(12-6-3-7-18-12)10-8-17-11-5-2-1-4-9(10)11/h1-8,17H
InChIKeyBKPLPHLUKAZSHN-UHFFFAOYSA-N
XLogP4.42
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
5-Methoxyindole-3-carbaldehyde
CID 82758
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole
CID 3385437
6-Methoxy-1H-indole-3-carboxaldehyde
CID 907214
3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
furan-2-yl(1H-indol-3-yl)methanone
CID 958611
3-(furan-3-yl)-1H-indole
CID 10607518
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole
CID 10542381
3-(1-Benzofuran-3-yl)-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
CID 16741551
4-Methoxyindole-3-aldehyde
CID 146229

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole?
The IUPAC name of 3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole (CID 172643199) is 3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole.
What is the SMILES notation for 3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole?
The canonical SMILES for 3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole is FC(F)=C(c1ccco1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole?
The InChIKey is BKPLPHLUKAZSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/c15-14(16)13(12-6-3-7-18-12)10-8-17-11-5-2-1-4-9(10)11/h1-8,17H.
What are the key properties of 3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole?
3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole has a molecular weight of 245.23 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoro-1-(furan-2-yl)ethenyl]-1H-indole is sourced from PubChem (CID 172643199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).