3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal

C13H15FO — CID 117294882

IUPAC3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
SMILESO=CCCc1cc2c(cc1F)CCCC2
InChIInChI=1S/C13H15FO/c14-13-9-11-5-2-1-4-10(11)8-12(13)6-3-7-15/h7-9H,1-6H2
InChIKeyGELMOJKQTLTYCW-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.84
Rot. Bonds3

About 3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal

3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal (PubChem CID 117294882) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal.

Molecular Properties

Compound Name3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
PubChem CID117294882
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
SMILESO=CCCc1cc2c(cc1F)CCCC2
InChIInChI=1S/C13H15FO/c14-13-9-11-5-2-1-4-10(11)8-12(13)6-3-7-15/h7-9H,1-6H2
InChIKeyGELMOJKQTLTYCW-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 117283969
3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
CID 117294883
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 117296655
5-fluoro-6-(isocyanatomethyl)-2,3-dihydro-1H-indene
CID 117282197
3-(2-fluoro-5-hydroxyphenyl)propanal
CID 117276583
3-(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propanal
CID 117496048
3-(4,5-difluoro-2-pyrrolidin-1-ylphenyl)propanal
CID 117117788
3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal
CID 89062923
3-(2-fluoro-5-methylsulfanylphenyl)propanal
CID 117117792
3-(2,3,4-trifluorophenyl)propanal
CID 22669156
3-(4-ethoxy-2-fluorophenyl)propanal
CID 117286118
3-[4-(difluoromethoxy)-2-fluorophenyl]propanal
CID 134621994

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal?
The IUPAC name of 3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal (CID 117294882) is 3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal.
What is the SMILES notation for 3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal?
The canonical SMILES for 3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal is O=CCCc1cc2c(cc1F)CCCC2.
What is the InChIKey of 3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal?
The InChIKey is GELMOJKQTLTYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c14-13-9-11-5-2-1-4-10(11)8-12(13)6-3-7-15/h7-9H,1-6H2.
What are the key properties of 3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal?
3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal has a molecular weight of 206.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal is sourced from PubChem (CID 117294882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).