3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal

C13H15FO — CID 117294883

IUPAC3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
SMILESO=CCCc1ccc2c(c1F)CCCC2
InChIInChI=1S/C13H15FO/c14-13-11(5-3-9-15)8-7-10-4-1-2-6-12(10)13/h7-9H,1-6H2
InChIKeyBFNYOLMZVWVAJG-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.84
Rot. Bonds3

About 3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal

3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal (PubChem CID 117294883) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal.

Molecular Properties

Compound Name3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
PubChem CID117294883
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
SMILESO=CCCc1ccc2c(c1F)CCCC2
InChIInChI=1S/C13H15FO/c14-13-11(5-3-9-15)8-7-10-4-1-2-6-12(10)13/h7-9H,1-6H2
InChIKeyBFNYOLMZVWVAJG-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'}

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Related Compounds

(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 59218412
3-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
CID 117294882
3-(2,3,4-trifluorophenyl)propanal
CID 22669156
3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal
CID 117311204
2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 117371669
5,6-difluoro-1,2,3,4-tetrahydronaphthalene;ethene
CID 164603434
3-(3-bromo-2-fluoro-4-hydroxyphenyl)propanal
CID 117369384
3-(3-fluoro-2,4-dihydroxyphenyl)propanal
CID 117279746
3-(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propanal
CID 117496048
3-(4,6-difluorodibenzothiophen-3-yl)propanal
CID 170032157
3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal
CID 117297394
3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal
CID 89062923

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal?
The IUPAC name of 3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal (CID 117294883) is 3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal.
What is the SMILES notation for 3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal?
The canonical SMILES for 3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal is O=CCCc1ccc2c(c1F)CCCC2.
What is the InChIKey of 3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal?
The InChIKey is BFNYOLMZVWVAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c14-13-11(5-3-9-15)8-7-10-4-1-2-6-12(10)13/h7-9H,1-6H2.
What are the key properties of 3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal?
3-(1-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-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal is sourced from PubChem (CID 117294883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).