3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal

C12H13FO2 — CID 117297394

IUPAC3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal
SMILESO=CCCc1c(F)ccc2c1OCCC2
InChIInChI=1S/C12H13FO2/c13-11-6-5-9-3-2-8-15-12(9)10(11)4-1-7-14/h5-7H,1-4,8H2
InChIKeyBIKMELUZRNAMMT-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.28
Rot. Bonds3

About 3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal

3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal (PubChem CID 117297394) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal.

Molecular Properties

Compound Name3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal
PubChem CID117297394
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal
SMILESO=CCCc1c(F)ccc2c1OCCC2
InChIInChI=1S/C12H13FO2/c13-11-6-5-9-3-2-8-15-12(9)10(11)4-1-7-14/h5-7H,1-4,8H2
InChIKeyBIKMELUZRNAMMT-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.28
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

3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propanal
CID 117321525
7-fluoro-3,4-dihydro-2H-chromen-8-ol
CID 10630931
7-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid
CID 22404817
8-bromo-7-fluoro-3,4-dihydro-2H-chromene
CID 155778553
(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 117276567
2-amino-1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)ethanol
CID 117301278
2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile
CID 117277411
[1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine
CID 117315960
1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine
CID 117298789
(1R)-1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 130845713
8-fluoro-3,4-dihydro-2H-chromen-7-ol
CID 101361843
[1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclohexyl]methanamine
CID 117413291

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal?
The IUPAC name of 3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal (CID 117297394) is 3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal.
What is the SMILES notation for 3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal?
The canonical SMILES for 3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal is O=CCCc1c(F)ccc2c1OCCC2.
What is the InChIKey of 3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal?
The InChIKey is BIKMELUZRNAMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-11-6-5-9-3-2-8-15-12(9)10(11)4-1-7-14/h5-7H,1-4,8H2.
What are the key properties of 3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal?
3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal has a molecular weight of 208.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal is sourced from PubChem (CID 117297394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).