5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde

C12H13FO2 — CID 105461602

IUPAC5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde
SMILESCOC1(C=O)CCc2c(F)cccc2C1
InChIInChI=1S/C12H13FO2/c1-15-12(8-14)6-5-10-9(7-12)3-2-4-11(10)13/h2-4,8H,5-7H2,1H3
InChIKeyKYZNWGCXAKSWFT-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.90
Rot. Bonds2

About 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde

5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde (PubChem CID 105461602) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde
PubChem CID105461602
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde
SMILESCOC1(C=O)CCc2c(F)cccc2C1
InChIInChI=1S/C12H13FO2/c1-15-12(8-14)6-5-10-9(7-12)3-2-4-11(10)13/h2-4,8H,5-7H2,1H3
InChIKeyKYZNWGCXAKSWFT-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.90
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

3,3,3-Trifluoro-2-hydroxy-2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanal
CID 87839256
3,3,3-Trifluoro-2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanal
CID 87840054
3,3,3-Trifluoro-2-hydroxy-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanal
CID 87840372
3,3,3-Trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal
CID 87840641
1-[(1R,2S)-6-fluoro-1-propan-2-yl-2-propyl-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxypropan-2-one
CID 118951921
1-(6-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone
CID 141529040
3-(2-Fluorophenyl)-2-methoxybutanal
CID 147233969
5-(2,4-Difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde
CID 153410080
3-(trifluoromethoxy)-3,4-dihydro-1H-naphthalen-2-one
CID 44463071
4-(5-Fluoro-2-methylphenyl)-1-methoxybutan-2-one
CID 105372301
3-(5-Fluoro-2-methylphenyl)-2-hydroxy-2-methylpropanal
CID 105372913
1-(1-Ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373386

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde?
The IUPAC name of 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde (CID 105461602) is 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde.
What is the SMILES notation for 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde?
The canonical SMILES for 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde is COC1(C=O)CCc2c(F)cccc2C1.
What is the InChIKey of 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde?
The InChIKey is KYZNWGCXAKSWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-15-12(8-14)6-5-10-9(7-12)3-2-4-11(10)13/h2-4,8H,5-7H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde?
5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde has a molecular weight of 208.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde is sourced from PubChem (CID 105461602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).