5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde

C11H10F2O — CID 84720700

IUPAC5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2c(c1)CCCC2(F)F
InChIInChI=1S/C11H10F2O/c12-11(13)5-1-2-9-6-8(7-14)3-4-10(9)11/h3-4,6-7H,1-2,5H2
InChIKeyJZVJOMWWOPVCNY-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.93
Rot. Bonds1

About 5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde

5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde (PubChem CID 84720700) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is 5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde
PubChem CID84720700
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2c(c1)CCCC2(F)F
InChIInChI=1S/C11H10F2O/c12-11(13)5-1-2-9-6-8(7-14)3-4-10(9)11/h3-4,6-7H,1-2,5H2
InChIKeyJZVJOMWWOPVCNY-UHFFFAOYSA-N
XLogP2.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.93
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

1,1-dimethyl-3,4-dihydro-2H-isoquinoline-6-carbaldehyde
CID 154180598
tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde
CID 101344698
8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid
CID 84678898
2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-carbaldehyde
CID 23558916
1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde
CID 82411141
spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde
CID 74892498
4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde
CID 54910359
1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
CID 2793014
1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile
CID 177016890
3,4-dihydro-1H-isochromene-7-carbaldehyde
CID 82415325
1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carbaldehyde
CID 84671403
4-hydroxy-3-[(2S)-2-hydroxyazetidin-2-yl]benzaldehyde;hydrochloride
CID 171197417

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde?
The IUPAC name of 5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde (CID 84720700) is 5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde.
What is the SMILES notation for 5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde?
The canonical SMILES for 5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde is O=Cc1ccc2c(c1)CCCC2(F)F.
What is the InChIKey of 5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde?
The InChIKey is JZVJOMWWOPVCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O/c12-11(13)5-1-2-9-6-8(7-14)3-4-10(9)11/h3-4,6-7H,1-2,5H2.
What are the key properties of 5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde?
5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde has a molecular weight of 196.20 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde is sourced from PubChem (CID 84720700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).