2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde

C16H14F2O2 — CID 21252414

IUPAC2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde
SMILESCCCOc1ccc(-c2ccc(C=O)c(F)c2)cc1F
InChIInChI=1S/C16H14F2O2/c1-2-7-20-16-6-5-12(9-15(16)18)11-3-4-13(10-19)14(17)8-11/h3-6,8-10H,2,7H2,1H3
InChIKeyJNLACYVONDPVOX-UHFFFAOYSA-N
MW276.28 g/mol
LogP4.23
Rot. Bonds5

About 2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde

2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde (PubChem CID 21252414) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde
PubChem CID21252414
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde
SMILESCCCOc1ccc(-c2ccc(C=O)c(F)c2)cc1F
InChIInChI=1S/C16H14F2O2/c1-2-7-20-16-6-5-12(9-15(16)18)11-3-4-13(10-19)14(17)8-11/h3-6,8-10H,2,7H2,1H3
InChIKeyJNLACYVONDPVOX-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-(3-fluoro-4-propoxyphenyl)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-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
4-fluoro-2-propoxybenzaldehyde
CID 74889364
2-fluoro-4-methoxy-5-propoxybenzaldehyde
CID 22145775
2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene
CID 174492898
2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 69110371
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 23391143
4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene
CID 18960186
1-(3H-benzimidazol-5-yl)-N-[[5-(3-fluoro-4-propoxyphenyl)pyrimidin-2-yl]methyl]methanamine;formic acid
CID 172895635
4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 143190556
(3-fluoro-2-formyl-4-propoxyphenyl)boronic acid
CID 164896175
2-fluoro-4-propan-2-yl-1-propoxybenzene
CID 67978486

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde?
The IUPAC name of 2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde (CID 21252414) is 2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde?
The canonical SMILES for 2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde is CCCOc1ccc(-c2ccc(C=O)c(F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde?
The InChIKey is JNLACYVONDPVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-2-7-20-16-6-5-12(9-15(16)18)11-3-4-13(10-19)14(17)8-11/h3-6,8-10H,2,7H2,1H3.
What are the key properties of 2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde?
2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde has a molecular weight of 276.28 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde is sourced from PubChem (CID 21252414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).