8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde

C12H13FO — CID 84719917

IUPAC8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde
SMILESCC1(F)CCCc2cccc(C=O)c21
InChIInChI=1S/C12H13FO/c1-12(13)7-3-6-9-4-2-5-10(8-14)11(9)12/h2,4-5,8H,3,6-7H2,1H3
InChIKeyPGJFEDAVRUFTMA-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.02
Rot. Bonds1

About 8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde

8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde (PubChem CID 84719917) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde
PubChem CID84719917
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde
SMILESCC1(F)CCCc2cccc(C=O)c21
InChIInChI=1S/C12H13FO/c1-12(13)7-3-6-9-4-2-5-10(8-14)11(9)12/h2,4-5,8H,3,6-7H2,1H3
InChIKeyPGJFEDAVRUFTMA-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.02
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

5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene
CID 84721040
3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene
CID 84718384
bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde
CID 10855492
acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene
CID 158377760
2-(1-methylcyclopropyl)benzaldehyde
CID 118117463
1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84721905
CID 147423801
CID 147423801
2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde
CID 165486006
5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
CID 84737588
1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 143727519
9,9'-spirobi[7,8-dihydrophenalene]-1,1'-dicarbaldehyde
CID 176830338
5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde
CID 84720700

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde?
The IUPAC name of 8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde (CID 84719917) is 8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde.
What is the SMILES notation for 8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde?
The canonical SMILES for 8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde is CC1(F)CCCc2cccc(C=O)c21.
What is the InChIKey of 8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde?
The InChIKey is PGJFEDAVRUFTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-12(13)7-3-6-9-4-2-5-10(8-14)11(9)12/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde?
8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde has a molecular weight of 192.23 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 84719917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).