2,3-bis(2-fluoroethoxy)benzaldehyde

C11H12F2O3 — CID 15058684

IUPAC2,3-bis(2-fluoroethoxy)benzaldehyde
SMILESO=Cc1cccc(OCCF)c1OCCF
InChIInChI=1S/C11H12F2O3/c12-4-6-15-10-3-1-2-9(8-14)11(10)16-7-5-13/h1-3,8H,4-7H2
InChIKeyAWOSPKZWBFZJLC-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.20
Rot. Bonds7

About 2,3-bis(2-fluoroethoxy)benzaldehyde

2,3-bis(2-fluoroethoxy)benzaldehyde (PubChem CID 15058684) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2,3-bis(2-fluoroethoxy)benzaldehyde.

Molecular Properties

Compound Name2,3-bis(2-fluoroethoxy)benzaldehyde
PubChem CID15058684
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name2,3-bis(2-fluoroethoxy)benzaldehyde
SMILESO=Cc1cccc(OCCF)c1OCCF
InChIInChI=1S/C11H12F2O3/c12-4-6-15-10-3-1-2-9(8-14)11(10)16-7-5-13/h1-3,8H,4-7H2
InChIKeyAWOSPKZWBFZJLC-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-bis(2-fluoroethoxy)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
2-bromo-3-(2-fluoroethoxy)benzaldehyde
CID 170993640
1,2,3-tris(2-fluoroethoxy)benzene
CID 15058725
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde
CID 154667088
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde
CID 58518892
3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
2-methoxy-3-pentoxybenzaldehyde
CID 82161467
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
3-ethoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]benzaldehyde
CID 61491424

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-fluoroethoxy)benzaldehyde?
The IUPAC name of 2,3-bis(2-fluoroethoxy)benzaldehyde (CID 15058684) is 2,3-bis(2-fluoroethoxy)benzaldehyde.
What is the SMILES notation for 2,3-bis(2-fluoroethoxy)benzaldehyde?
The canonical SMILES for 2,3-bis(2-fluoroethoxy)benzaldehyde is O=Cc1cccc(OCCF)c1OCCF.
What is the InChIKey of 2,3-bis(2-fluoroethoxy)benzaldehyde?
The InChIKey is AWOSPKZWBFZJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c12-4-6-15-10-3-1-2-9(8-14)11(10)16-7-5-13/h1-3,8H,4-7H2.
What are the key properties of 2,3-bis(2-fluoroethoxy)benzaldehyde?
2,3-bis(2-fluoroethoxy)benzaldehyde has a molecular weight of 230.21 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-fluoroethoxy)benzaldehyde is sourced from PubChem (CID 15058684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).