(2,4-difluorophenyl) propanoate

C9H8F2O2 — CID 18525986

IUPAC(2,4-difluorophenyl) propanoate
SMILESCCC(=O)Oc1ccc(F)cc1F
InChIInChI=1S/C9H8F2O2/c1-2-9(12)13-8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3
InChIKeyXDQYVCHPHFEEKY-UHFFFAOYSA-N
MW186.16 g/mol
LogP2.28
Rot. Bonds2

About (2,4-difluorophenyl) propanoate

(2,4-difluorophenyl) propanoate (PubChem CID 18525986) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is (2,4-difluorophenyl) propanoate.

Molecular Properties

Compound Name(2,4-difluorophenyl) propanoate
PubChem CID18525986
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(2,4-difluorophenyl) propanoate
SMILESCCC(=O)Oc1ccc(F)cc1F
InChIInChI=1S/C9H8F2O2/c1-2-9(12)13-8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3
InChIKeyXDQYVCHPHFEEKY-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-fluoro-4-(4-fluorophenyl)phenyl] butanoate;[2-fluoro-4-(4-fluorophenyl)phenyl] propanoate
CID 23174129
1-O-(2,4-difluorophenyl) 3-O-ethyl 2-ethylpropanedioate
CID 170923141
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
[2-fluoro-4-(3-fluoro-4-octoxyphenyl)phenyl] propanoate
CID 54154987
(2,4-difluorophenyl) 4-propylbenzoate
CID 23391163
[2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate
CID 54239490
(2,4-difluorophenyl) prop-2-ynoate
CID 88851570
[2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 170072293
[3-fluoro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl] propanoate
CID 122645778
methyl 4-(2,4-difluorophenoxy)-2-ethylbut-2-enoate
CID 77100526
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
(2,4-difluorophenyl) 2,2,3,3,3-pentafluoropropanoate
CID 88574356

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl) propanoate?
The IUPAC name of (2,4-difluorophenyl) propanoate (CID 18525986) is (2,4-difluorophenyl) propanoate.
What is the SMILES notation for (2,4-difluorophenyl) propanoate?
The canonical SMILES for (2,4-difluorophenyl) propanoate is CCC(=O)Oc1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl) propanoate?
The InChIKey is XDQYVCHPHFEEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-2-9(12)13-8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3.
What are the key properties of (2,4-difluorophenyl) propanoate?
(2,4-difluorophenyl) propanoate has a molecular weight of 186.16 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl) propanoate is sourced from PubChem (CID 18525986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).