3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde

C14H10F2O2 — CID 170457664

IUPAC3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde
SMILESCOc1cccc(-c2c(F)cc(F)cc2C=O)c1
InChIInChI=1S/C14H10F2O2/c1-18-12-4-2-3-9(6-12)14-10(8-17)5-11(15)7-13(14)16/h2-8H,1H3
InChIKeyRQKMLXVEVRPOLQ-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.45
Rot. Bonds3

About 3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde

3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde (PubChem CID 170457664) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde
PubChem CID170457664
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde
SMILESCOc1cccc(-c2c(F)cc(F)cc2C=O)c1
InChIInChI=1S/C14H10F2O2/c1-18-12-4-2-3-9(6-12)14-10(8-17)5-11(15)7-13(14)16/h2-8H,1H3
InChIKeyRQKMLXVEVRPOLQ-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.45
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

3,5-difluoro-4-(3-methoxyphenyl)aniline
CID 175669991
3-fluoro-2-(4-methoxyphenyl)benzaldehyde
CID 135055449
2-(3-fluorophenyl)-5-methoxybenzaldehyde
CID 46314389
1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone
CID 54911823
3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde
CID 170457674
2-(3-methoxyphenyl)-4-methylpyrimidine-5-carbaldehyde
CID 82288198
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
3-(3-methoxyphenyl)-1,2-oxazole-4-carbaldehyde
CID 82362919
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
5-(3-methoxyphenyl)-1-methylpyrazole-4-carbaldehyde
CID 83821629
2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid
CID 165436057

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde?
The IUPAC name of 3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde (CID 170457664) is 3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde?
The canonical SMILES for 3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde is COc1cccc(-c2c(F)cc(F)cc2C=O)c1.
What is the InChIKey of 3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde?
The InChIKey is RQKMLXVEVRPOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-18-12-4-2-3-9(6-12)14-10(8-17)5-11(15)7-13(14)16/h2-8H,1H3.
What are the key properties of 3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde?
3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde has a molecular weight of 248.23 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 170457664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).