3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde

C12H9F2NO2 — CID 156872369

IUPAC3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde
SMILESCOc1cc(C=O)cc2cc(F)c(CF)nc12
InChIInChI=1S/C12H9F2NO2/c1-17-11-3-7(6-16)2-8-4-9(14)10(5-13)15-12(8)11/h2-4,6H,5H2,1H3
InChIKeyQUQHHLFGANQQRN-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.66
Rot. Bonds3

About 3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde

3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde (PubChem CID 156872369) has the molecular formula C12H9F2NO2 and a molecular weight of 237.20 g/mol. Its IUPAC name is 3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde.

Molecular Properties

Compound Name3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde
PubChem CID156872369
Molecular FormulaC12H9F2NO2
Molecular Weight237.20 g/mol
Exact Mass237.06
IUPAC Name3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde
SMILESCOc1cc(C=O)cc2cc(F)c(CF)nc12
InChIInChI=1S/C12H9F2NO2/c1-17-11-3-7(6-16)2-8-4-9(14)10(5-13)15-12(8)11/h2-4,6H,5H2,1H3
InChIKeyQUQHHLFGANQQRN-UHFFFAOYSA-N
XLogP2.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-2-methylindazole-5-carbaldehyde
CID 117110214
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
7-methoxy-2-(3-methylbutyl)-3H-benzimidazole-5-carbaldehyde
CID 118864224
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800
methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate
CID 171022888
4-(fluoromethyl)-2,5-dimethoxybenzaldehyde
CID 84668094
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
N-(4-formyl-2,6-dimethoxyphenyl)formamide
CID 21281019
3-fluoro-4-methoxy-5-methylbenzaldehyde
CID 83827035
3,4-dichloro-5-methoxybenzaldehyde
CID 21483929
3-(2,5-difluorophenyl)-4,5-dimethoxybenzaldehyde
CID 82039124

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde?
The IUPAC name of 3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde (CID 156872369) is 3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde.
What is the SMILES notation for 3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde?
The canonical SMILES for 3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde is COc1cc(C=O)cc2cc(F)c(CF)nc12.
What is the InChIKey of 3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde?
The InChIKey is QUQHHLFGANQQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2/c1-17-11-3-7(6-16)2-8-4-9(14)10(5-13)15-12(8)11/h2-4,6H,5H2,1H3.
What are the key properties of 3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde?
3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde has a molecular weight of 237.20 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(fluoromethyl)-8-methoxyquinoline-6-carbaldehyde is sourced from PubChem (CID 156872369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).