2,4-difluoro-5-phosphanylbenzaldehyde

C7H5F2OP — CID 169189321

IUPAC2,4-difluoro-5-phosphanylbenzaldehyde
SMILESO=Cc1cc(P)c(F)cc1F
InChIInChI=1S/C7H5F2OP/c8-5-2-6(9)7(11)1-4(5)3-10/h1-3H,11H2
InChIKeyGRANIEBKQDYPRF-UHFFFAOYSA-N
MW174.09 g/mol
LogP1.28
Rot. Bonds1

About 2,4-difluoro-5-phosphanylbenzaldehyde

2,4-difluoro-5-phosphanylbenzaldehyde (PubChem CID 169189321) has the molecular formula C7H5F2OP and a molecular weight of 174.09 g/mol. Its IUPAC name is 2,4-difluoro-5-phosphanylbenzaldehyde.

Molecular Properties

Compound Name2,4-difluoro-5-phosphanylbenzaldehyde
PubChem CID169189321
Molecular FormulaC7H5F2OP
Molecular Weight174.09 g/mol
Exact Mass174.00
IUPAC Name2,4-difluoro-5-phosphanylbenzaldehyde
SMILESO=Cc1cc(P)c(F)cc1F
InChIInChI=1S/C7H5F2OP/c8-5-2-6(9)7(11)1-4(5)3-10/h1-3H,11H2
InChIKeyGRANIEBKQDYPRF-UHFFFAOYSA-N
XLogP1.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.09
LogP ≤ 51.28
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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Related Compounds

4,6-difluorobenzene-1,3-dicarbaldehyde
CID 11030259
N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde
CID 143152028
5-chloro-2,4-difluorobenzaldehyde
CID 34174561
2,4-difluoro-5-formylbenzoic acid
CID 53405251
6-fluoro-1,3-benzodioxole-5-carbaldehyde
CID 14384443
2-(difluoromethyl)-5-fluoroterephthalaldehyde
CID 171027914
4-fluoro-5-formyl-2-methylbenzonitrile
CID 59370534
4-amino-5-bromo-2-fluorobenzaldehyde
CID 141286032
4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde
CID 169475773
2,3,4,5-tetrafluorobenzaldehyde
CID 2734023
2-(difluoromethoxy)-5-fluoroterephthalaldehyde
CID 171026427
6-fluoro-2-sulfanylidene-1,3-benzodioxole-5-carbaldehyde
CID 166608209

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-phosphanylbenzaldehyde?
The IUPAC name of 2,4-difluoro-5-phosphanylbenzaldehyde (CID 169189321) is 2,4-difluoro-5-phosphanylbenzaldehyde.
What is the SMILES notation for 2,4-difluoro-5-phosphanylbenzaldehyde?
The canonical SMILES for 2,4-difluoro-5-phosphanylbenzaldehyde is O=Cc1cc(P)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-phosphanylbenzaldehyde?
The InChIKey is GRANIEBKQDYPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2OP/c8-5-2-6(9)7(11)1-4(5)3-10/h1-3H,11H2.
What are the key properties of 2,4-difluoro-5-phosphanylbenzaldehyde?
2,4-difluoro-5-phosphanylbenzaldehyde has a molecular weight of 174.09 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-phosphanylbenzaldehyde is sourced from PubChem (CID 169189321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).