5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole

C20H18FN — CID 139563099

IUPAC5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole
SMILESC=C(CCC(=C)c1ccccc1F)c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H18FN/c1-14(16-9-10-20-17(13-16)11-12-22-20)7-8-15(2)18-5-3-4-6-19(18)21/h3-6,9-13,22H,1-2,7-8H2
InChIKeyUKCWEGCGRWWHFK-UHFFFAOYSA-N
MW291.37 g/mol
LogP5.81
Rot. Bonds5

About 5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole

5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole (PubChem CID 139563099) has the molecular formula C20H18FN and a molecular weight of 291.37 g/mol. Its IUPAC name is 5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole.

Molecular Properties

Compound Name5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole
PubChem CID139563099
Molecular FormulaC20H18FN
Molecular Weight291.37 g/mol
Exact Mass291.14
IUPAC Name5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole
SMILESC=C(CCC(=C)c1ccccc1F)c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H18FN/c1-14(16-9-10-20-17(13-16)11-12-22-20)7-8-15(2)18-5-3-4-6-19(18)21/h3-6,9-13,22H,1-2,7-8H2
InChIKeyUKCWEGCGRWWHFK-UHFFFAOYSA-N
XLogP5.81
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.37
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine
CID 89110567
N-[1-(4-fluorophenyl)ethenyl]-1H-indol-5-amine
CID 142618850
N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide
CID 138674551
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide
CID 122135434
N-[(2-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 39717434
cesium;1H-indole;hydroxide
CID 175329356
1-(1H-indol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90363615
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
N-[2-(2-fluorophenoxy)-3-pyridinyl]-1H-indole-5-carboxamide
CID 155909547
N-quinolin-2-yl-1H-indole-5-carboxamide
CID 134151071
5-fluoro-1H-indole;molecular fluorine
CID 123133815

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole?
The IUPAC name of 5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole (CID 139563099) is 5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole.
What is the SMILES notation for 5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole?
The canonical SMILES for 5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole is C=C(CCC(=C)c1ccccc1F)c1ccc2[nH]ccc2c1.
What is the InChIKey of 5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole?
The InChIKey is UKCWEGCGRWWHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN/c1-14(16-9-10-20-17(13-16)11-12-22-20)7-8-15(2)18-5-3-4-6-19(18)21/h3-6,9-13,22H,1-2,7-8H2.
What are the key properties of 5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole?
5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole has a molecular weight of 291.37 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole is sourced from PubChem (CID 139563099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).