(2,3-difluoro-5,6-dimethylphenyl) acetate

C10H10F2O2 — CID 174355739

IUPAC(2,3-difluoro-5,6-dimethylphenyl) acetate
SMILESCC(=O)Oc1c(C)c(C)cc(F)c1F
InChIInChI=1S/C10H10F2O2/c1-5-4-8(11)9(12)10(6(5)2)14-7(3)13/h4H,1-3H3
InChIKeyXBYTZENZMQCRTE-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.51
Rot. Bonds1

About (2,3-difluoro-5,6-dimethylphenyl) acetate

(2,3-difluoro-5,6-dimethylphenyl) acetate (PubChem CID 174355739) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is (2,3-difluoro-5,6-dimethylphenyl) acetate.

Molecular Properties

Compound Name(2,3-difluoro-5,6-dimethylphenyl) acetate
PubChem CID174355739
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name(2,3-difluoro-5,6-dimethylphenyl) acetate
SMILESCC(=O)Oc1c(C)c(C)cc(F)c1F
InChIInChI=1S/C10H10F2O2/c1-5-4-8(11)9(12)10(6(5)2)14-7(3)13/h4H,1-3H3
InChIKeyXBYTZENZMQCRTE-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.51
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

(2,3,6-trifluorophenyl) acetate
CID 23297688
propane;(2,3,4,5-tetrafluoro-6-methylphenyl) acetate
CID 145302022
(4-amino-2,3,6-trimethylphenyl) acetate
CID 87545490
diethyl 2-(3-acetyloxy-2,4,5-trifluorobenzoyl)propanedioate
CID 54155163
(6-bromo-2-fluoro-3-methylphenyl) acetate
CID 130643220
4-acetyloxy-3,5-difluorobenzoic acid
CID 139998591
(2,3,4,5,6-pentamethylphenyl) acetate
CID 12655239
(2,3,5,6-tetrafluorophenyl) N-methylcarbamate
CID 155696614
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390
(3-amino-2,4,6-trimethylphenyl) acetate
CID 10797860
2-acetyloxy-3-chloro-4,5-dimethylbenzoic acid
CID 50882921
(3-chloro-2,6-difluorophenyl) acetate
CID 134561952

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-5,6-dimethylphenyl) acetate?
The IUPAC name of (2,3-difluoro-5,6-dimethylphenyl) acetate (CID 174355739) is (2,3-difluoro-5,6-dimethylphenyl) acetate.
What is the SMILES notation for (2,3-difluoro-5,6-dimethylphenyl) acetate?
The canonical SMILES for (2,3-difluoro-5,6-dimethylphenyl) acetate is CC(=O)Oc1c(C)c(C)cc(F)c1F.
What is the InChIKey of (2,3-difluoro-5,6-dimethylphenyl) acetate?
The InChIKey is XBYTZENZMQCRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-5-4-8(11)9(12)10(6(5)2)14-7(3)13/h4H,1-3H3.
What are the key properties of (2,3-difluoro-5,6-dimethylphenyl) acetate?
(2,3-difluoro-5,6-dimethylphenyl) acetate has a molecular weight of 200.18 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-5,6-dimethylphenyl) acetate is sourced from PubChem (CID 174355739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).