[4-(1-azido-2-fluoroethyl)phenyl] acetate

C10H10FN3O2 — CID 150311781

IUPAC[4-(1-azido-2-fluoroethyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(CF)N=[N+]=[N-])cc1
InChIInChI=1S/C10H10FN3O2/c1-7(15)16-9-4-2-8(3-5-9)10(6-11)13-14-12/h2-5,10H,6H2,1H3
InChIKeyGLTTWKFKJUUSNB-UHFFFAOYSA-N
MW223.21 g/mol
LogP2.93
Rot. Bonds4

About [4-(1-azido-2-fluoroethyl)phenyl] acetate

[4-(1-azido-2-fluoroethyl)phenyl] acetate (PubChem CID 150311781) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is [4-(1-azido-2-fluoroethyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(1-azido-2-fluoroethyl)phenyl] acetate
PubChem CID150311781
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name[4-(1-azido-2-fluoroethyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(CF)N=[N+]=[N-])cc1
InChIInChI=1S/C10H10FN3O2/c1-7(15)16-9-4-2-8(3-5-9)10(6-11)13-14-12/h2-5,10H,6H2,1H3
InChIKeyGLTTWKFKJUUSNB-UHFFFAOYSA-N
XLogP2.93
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[4-(1-fluoroethyl)phenyl] acetate
CID 90646044
(4-acetyloxyphenyl) acetate;ethanamine
CID 160806185
diethyl 2-(4-acetyloxyphenyl)propanedioate
CID 134937799
[4-[(1R)-1-acetyloxypropyl]phenyl] acetate
CID 42612647
(4-acetyloxyphenyl)-ethyl-diphenylphosphanium
CID 129074306
3-(4-acetyloxyphenyl)-3-bromopropanoic acid
CID 164670147
[4-(propylamino)phenyl] acetate
CID 82532444
[4-[[(4-acetyloxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenyl] acetate
CID 22925936
2-azido-2-(4-methoxyphenyl)acetic acid
CID 122606952
[4-(1-hydroperoxyethyl)phenyl] acetate
CID 59899885
[4-(1,2,2-tribromoethyl)phenyl] acetate
CID 175423207
[4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenyl] acetate
CID 139697360

Frequently Asked Questions

What is the IUPAC name of [4-(1-azido-2-fluoroethyl)phenyl] acetate?
The IUPAC name of [4-(1-azido-2-fluoroethyl)phenyl] acetate (CID 150311781) is [4-(1-azido-2-fluoroethyl)phenyl] acetate.
What is the SMILES notation for [4-(1-azido-2-fluoroethyl)phenyl] acetate?
The canonical SMILES for [4-(1-azido-2-fluoroethyl)phenyl] acetate is CC(=O)Oc1ccc(C(CF)N=[N+]=[N-])cc1.
What is the InChIKey of [4-(1-azido-2-fluoroethyl)phenyl] acetate?
The InChIKey is GLTTWKFKJUUSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-7(15)16-9-4-2-8(3-5-9)10(6-11)13-14-12/h2-5,10H,6H2,1H3.
What are the key properties of [4-(1-azido-2-fluoroethyl)phenyl] acetate?
[4-(1-azido-2-fluoroethyl)phenyl] acetate has a molecular weight of 223.21 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-azido-2-fluoroethyl)phenyl] acetate is sourced from PubChem (CID 150311781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).