1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde

C16H11F2NO — CID 102910173

IUPAC1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde
SMILESO=Cc1cccc2ccn(Cc3ccc(F)cc3F)c12
InChIInChI=1S/C16H11F2NO/c17-14-5-4-12(15(18)8-14)9-19-7-6-11-2-1-3-13(10-20)16(11)19/h1-8,10H,9H2
InChIKeyWVLOSJRWKWGGDN-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.78
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde

1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde (PubChem CID 102910173) has the molecular formula C16H11F2NO and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde
PubChem CID102910173
Molecular FormulaC16H11F2NO
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde
SMILESO=Cc1cccc2ccn(Cc3ccc(F)cc3F)c12
InChIInChI=1S/C16H11F2NO/c17-14-5-4-12(15(18)8-14)9-19-7-6-11-2-1-3-13(10-20)16(11)19/h1-8,10H,9H2
InChIKeyWVLOSJRWKWGGDN-UHFFFAOYSA-N
XLogP3.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde
CID 102909906
1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde
CID 102910127
1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde
CID 102909917
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 103475124
1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole
CID 103474913
1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine
CID 114935840
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine
CID 102917161
[1-[(4-fluoro-2-methylphenyl)methyl]indol-7-yl]methanamine
CID 114349349
1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde
CID 102910068
1-(2-ethylbutyl)indole-7-carbaldehyde
CID 102910011
1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde
CID 105372599
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde
CID 102910167

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde (CID 102910173) is 1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde is O=Cc1cccc2ccn(Cc3ccc(F)cc3F)c12.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde?
The InChIKey is WVLOSJRWKWGGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO/c17-14-5-4-12(15(18)8-14)9-19-7-6-11-2-1-3-13(10-20)16(11)19/h1-8,10H,9H2.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde?
1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde has a molecular weight of 271.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde is sourced from PubChem (CID 102910173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).