2-(4-amino-2,3-difluorophenoxy)ethyl acetate

C10H11F2NO3 — CID 174748445

IUPAC2-(4-amino-2,3-difluorophenoxy)ethyl acetate
SMILESCC(=O)OCCOc1ccc(N)c(F)c1F
InChIInChI=1S/C10H11F2NO3/c1-6(14)15-4-5-16-8-3-2-7(13)9(11)10(8)12/h2-3H,4-5,13H2,1H3
InChIKeyIFTAFOFKKYWCKF-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.49
Rot. Bonds4

About 2-(4-amino-2,3-difluorophenoxy)ethyl acetate

2-(4-amino-2,3-difluorophenoxy)ethyl acetate (PubChem CID 174748445) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-(4-amino-2,3-difluorophenoxy)ethyl acetate.

Molecular Properties

Compound Name2-(4-amino-2,3-difluorophenoxy)ethyl acetate
PubChem CID174748445
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name2-(4-amino-2,3-difluorophenoxy)ethyl acetate
SMILESCC(=O)OCCOc1ccc(N)c(F)c1F
InChIInChI=1S/C10H11F2NO3/c1-6(14)15-4-5-16-8-3-2-7(13)9(11)10(8)12/h2-3H,4-5,13H2,1H3
InChIKeyIFTAFOFKKYWCKF-UHFFFAOYSA-N
XLogP1.49
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate
CID 22708942
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate
CID 123723244
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate
CID 163667516
ethyl 2-(3-amino-2-fluorophenoxy)acetate
CID 141351730
2-naphthalen-1-yloxyethyl acetate
CID 23049663
[2,3-difluoro-4-(methylcarbamothioyl)phenoxy]methyl acetate
CID 174551104
4-(2-acetyloxyethoxy)-3-bromobenzoic acid
CID 123879601
2-[2-(2-iodoethenyl)phenoxy]ethyl acetate
CID 54286183
3,4-diethoxy-2-fluoroaniline
CID 13454492
(4-amino-2,3-difluorophenyl) benzoate
CID 165356744

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,3-difluorophenoxy)ethyl acetate?
The IUPAC name of 2-(4-amino-2,3-difluorophenoxy)ethyl acetate (CID 174748445) is 2-(4-amino-2,3-difluorophenoxy)ethyl acetate.
What is the SMILES notation for 2-(4-amino-2,3-difluorophenoxy)ethyl acetate?
The canonical SMILES for 2-(4-amino-2,3-difluorophenoxy)ethyl acetate is CC(=O)OCCOc1ccc(N)c(F)c1F.
What is the InChIKey of 2-(4-amino-2,3-difluorophenoxy)ethyl acetate?
The InChIKey is IFTAFOFKKYWCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-6(14)15-4-5-16-8-3-2-7(13)9(11)10(8)12/h2-3H,4-5,13H2,1H3.
What are the key properties of 2-(4-amino-2,3-difluorophenoxy)ethyl acetate?
2-(4-amino-2,3-difluorophenoxy)ethyl acetate has a molecular weight of 231.20 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,3-difluorophenoxy)ethyl acetate is sourced from PubChem (CID 174748445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).