2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde

C16H14FNO — CID 79739656

IUPAC2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
SMILESO=Cc1cc(C2CCCc3cccnc32)ccc1F
InChIInChI=1S/C16H14FNO/c17-15-7-6-12(9-13(15)10-19)14-5-1-3-11-4-2-8-18-16(11)14/h2,4,6-10,14H,1,3,5H2
InChIKeyITMIHEWBSYUCOY-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.50
Rot. Bonds2

About 2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde

2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde (PubChem CID 79739656) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
PubChem CID79739656
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
SMILESO=Cc1cc(C2CCCc3cccnc32)ccc1F
InChIInChI=1S/C16H14FNO/c17-15-7-6-12(9-13(15)10-19)14-5-1-3-11-4-2-8-18-16(11)14/h2,4,6-10,14H,1,3,5H2
InChIKeyITMIHEWBSYUCOY-UHFFFAOYSA-N
XLogP3.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.50
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

2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
CID 79739966
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde
CID 79740689
N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine
CID 79721454
2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
CID 107602849
4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol
CID 83130051
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one
CID 79737986
2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde
CID 93476901
6-(5,6,7,8-tetrahydroquinolin-8-yl)pyridazin-3-amine
CID 79739575
4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
CID 136769456
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde?
The IUPAC name of 2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde (CID 79739656) is 2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde.
What is the SMILES notation for 2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde?
The canonical SMILES for 2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde is O=Cc1cc(C2CCCc3cccnc32)ccc1F.
What is the InChIKey of 2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde?
The InChIKey is ITMIHEWBSYUCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-15-7-6-12(9-13(15)10-19)14-5-1-3-11-4-2-8-18-16(11)14/h2,4,6-10,14H,1,3,5H2.
What are the key properties of 2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde?
2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde has a molecular weight of 255.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde is sourced from PubChem (CID 79739656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).