2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde

C16H10ClF2NO — CID 82269315

IUPAC2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde
SMILESO=Cc1c(Cl)n(Cc2ccc(F)cc2)c2c(F)cccc12
InChIInChI=1S/C16H10ClF2NO/c17-16-13(9-21)12-2-1-3-14(19)15(12)20(16)8-10-4-6-11(18)7-5-10/h1-7,9H,8H2
InChIKeyUBNBMGNXZMYNBZ-UHFFFAOYSA-N
MW305.71 g/mol
LogP4.43
Rot. Bonds3

About 2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde

2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde (PubChem CID 82269315) has the molecular formula C16H10ClF2NO and a molecular weight of 305.71 g/mol. Its IUPAC name is 2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde
PubChem CID82269315
Molecular FormulaC16H10ClF2NO
Molecular Weight305.71 g/mol
Exact Mass305.04
IUPAC Name2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde
SMILESO=Cc1c(Cl)n(Cc2ccc(F)cc2)c2c(F)cccc12
InChIInChI=1S/C16H10ClF2NO/c17-16-13(9-21)12-2-1-3-14(19)15(12)20(16)8-10-4-6-11(18)7-5-10/h1-7,9H,8H2
InChIKeyUBNBMGNXZMYNBZ-UHFFFAOYSA-N
XLogP4.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.71
LogP ≤ 54.43
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-benzyl-2-chloro-7-fluoroindole-3-carbaldehyde
CID 82269294
1-benzyl-2,7-dichloroindole-3-carbaldehyde
CID 82269368
7-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindole-2-carboxylic acid
CID 83969461
[2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
CID 82269307
(E)-3-(2-chloro-1-ethyl-7-fluoroindol-3-yl)-2-methylprop-2-enoic acid
CID 82269262
[2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol
CID 82268703
2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde
CID 82268494
8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84623267
1-[(2-chloro-3-fluorophenyl)methyl]pyrrole-2-carbaldehyde
CID 112652874
2-chloro-7-fluoro-1-[(2-methylphenyl)methyl]indole-3-carbonitrile
CID 82269302
4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 21081957
9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid
CID 174930142

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde?
The IUPAC name of 2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde (CID 82269315) is 2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde.
What is the SMILES notation for 2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde?
The canonical SMILES for 2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde is O=Cc1c(Cl)n(Cc2ccc(F)cc2)c2c(F)cccc12.
What is the InChIKey of 2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde?
The InChIKey is UBNBMGNXZMYNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NO/c17-16-13(9-21)12-2-1-3-14(19)15(12)20(16)8-10-4-6-11(18)7-5-10/h1-7,9H,8H2.
What are the key properties of 2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde?
2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde has a molecular weight of 305.71 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde is sourced from PubChem (CID 82269315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).