3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal

C10H11F2OP — CID 139394891

IUPAC3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal
SMILESO=CCCc1ccc(C(F)(F)P)cc1
InChIInChI=1S/C10H11F2OP/c11-10(12,14)9-5-3-8(4-6-9)2-1-7-13/h3-7H,1-2,14H2
InChIKeyBRLSPUFYAUBUDI-UHFFFAOYSA-N
MW216.17 g/mol
LogP2.74
Rot. Bonds4

About 3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal

3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal (PubChem CID 139394891) has the molecular formula C10H11F2OP and a molecular weight of 216.17 g/mol. Its IUPAC name is 3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal.

Molecular Properties

Compound Name3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal
PubChem CID139394891
Molecular FormulaC10H11F2OP
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC Name3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal
SMILESO=CCCc1ccc(C(F)(F)P)cc1
InChIInChI=1S/C10H11F2OP/c11-10(12,14)9-5-3-8(4-6-9)2-1-7-13/h3-7H,1-2,14H2
InChIKeyBRLSPUFYAUBUDI-UHFFFAOYSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal?
The IUPAC name of 3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal (CID 139394891) is 3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal.
What is the SMILES notation for 3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal?
The canonical SMILES for 3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal is O=CCCc1ccc(C(F)(F)P)cc1.
What is the InChIKey of 3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal?
The InChIKey is BRLSPUFYAUBUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2OP/c11-10(12,14)9-5-3-8(4-6-9)2-1-7-13/h3-7H,1-2,14H2.
What are the key properties of 3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal?
3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal has a molecular weight of 216.17 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal is sourced from PubChem (CID 139394891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).