1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde

C14H14FNO — CID 105489323

IUPAC1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde
SMILESO=Cc1cc2c(F)cccc2n1CC1CCC1
InChIInChI=1S/C14H14FNO/c15-13-5-2-6-14-12(13)7-11(9-17)16(14)8-10-3-1-4-10/h2,5-7,9-10H,1,3-4,8H2
InChIKeyXFQYGDNLKMJGPZ-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.39
Rot. Bonds3

About 1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde

1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde (PubChem CID 105489323) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde
PubChem CID105489323
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde
SMILESO=Cc1cc2c(F)cccc2n1CC1CCC1
InChIInChI=1S/C14H14FNO/c15-13-5-2-6-14-12(13)7-11(9-17)16(14)8-10-3-1-4-10/h2,5-7,9-10H,1,3-4,8H2
InChIKeyXFQYGDNLKMJGPZ-UHFFFAOYSA-N
XLogP3.39
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.39
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

9-(cyclobutylmethyl)carbazole
CID 130274210
[1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine
CID 105491326
1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one
CID 115761324
1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid
CID 124926451
2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde
CID 87648765
2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole
CID 60790255
1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione
CID 58101411
1-(cyclobutylmethyl)-2-fluorobenzene
CID 89050192
1-(cyclopropylmethyl)-2-ethenylindole
CID 138503170
2-(4-fluoro-1-methylindol-2-yl)acetaldehyde
CID 117194443
7-fluoro-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
CID 117206256
N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine
CID 82791538

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde?
The IUPAC name of 1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde (CID 105489323) is 1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde.
What is the SMILES notation for 1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde?
The canonical SMILES for 1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde is O=Cc1cc2c(F)cccc2n1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde?
The InChIKey is XFQYGDNLKMJGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c15-13-5-2-6-14-12(13)7-11(9-17)16(14)8-10-3-1-4-10/h2,5-7,9-10H,1,3-4,8H2.
What are the key properties of 1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde?
1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde has a molecular weight of 231.27 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde is sourced from PubChem (CID 105489323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).