5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde

C14H14F2O2 — CID 153410080

IUPAC5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde
SMILESCCC1(C=O)CCC(c2ccc(F)cc2F)=CO1
InChIInChI=1S/C14H14F2O2/c1-2-14(9-17)6-5-10(8-18-14)12-4-3-11(15)7-13(12)16/h3-4,7-9H,2,5-6H2,1H3
InChIKeyDNTIUSZHIUJTQY-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.46
Rot. Bonds3

About 5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde

5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde (PubChem CID 153410080) has the molecular formula C14H14F2O2 and a molecular weight of 252.26 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde
PubChem CID153410080
Molecular FormulaC14H14F2O2
Molecular Weight252.26 g/mol
Exact Mass252.10
IUPAC Name5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde
SMILESCCC1(C=O)CCC(c2ccc(F)cc2F)=CO1
InChIInChI=1S/C14H14F2O2/c1-2-14(9-17)6-5-10(8-18-14)12-4-3-11(15)7-13(12)16/h3-4,7-9H,2,5-6H2,1H3
InChIKeyDNTIUSZHIUJTQY-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.46
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

Ethyl 4-(4-fluorophenyl)-2-oxopentanoate
CID 135070440
(5S,6S)-5-(4-fluorophenyl)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 168350800
1-Methoxy-4-phenylbutan-2-one
CID 3453524
2-Methoxy-2-biphenylcarboxaldehyde
CID 129687557
Ethyl 3,3-difluoro-2-oxo-4-phenylbutanoate
CID 11806796
2-Hydroxy-4-methyl-4-phenyl-2-trifluoromethylpentanal
CID 17989092
4-(2,5-Difluorophenyl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentanal
CID 17989157
Benzenebutanal, alpha-hydroxy-alpha-(trifluoromethyl)-
CID 17989294
Methyl 6-(4-fluorophenyl)-2-oxohexanoate
CID 18175111
Methyl 6-(3,4-difluorophenyl)-2-oxohexanoate
CID 18175130
Ethyl 3-(2,5-difluorophenyl)-2-oxopropanoate
CID 18370101
Methyl 4-(4-fluorophenyl)-2-oxobutanoate
CID 18370211

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde?
The IUPAC name of 5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde (CID 153410080) is 5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde is CCC1(C=O)CCC(c2ccc(F)cc2F)=CO1.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde?
The InChIKey is DNTIUSZHIUJTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2O2/c1-2-14(9-17)6-5-10(8-18-14)12-4-3-11(15)7-13(12)16/h3-4,7-9H,2,5-6H2,1H3.
What are the key properties of 5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde?
5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde has a molecular weight of 252.26 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2-ethyl-3,4-dihydropyran-2-carbaldehyde is sourced from PubChem (CID 153410080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).