2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid

C12H12FNO5 — CID 103272433

IUPAC2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid
SMILESO=C(O)CC1(Oc2cc(F)ccc2[N+](=O)[O-])CCC1
InChIInChI=1S/C12H12FNO5/c13-8-2-3-9(14(17)18)10(6-8)19-12(4-1-5-12)7-11(15)16/h2-3,6H,1,4-5,7H2,(H,15,16)
InChIKeyHNPRDUCVQGVHMS-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.51
Rot. Bonds5

About 2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid

2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid (PubChem CID 103272433) has the molecular formula C12H12FNO5 and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid
PubChem CID103272433
Molecular FormulaC12H12FNO5
Molecular Weight269.23 g/mol
Exact Mass269.07
IUPAC Name2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid
SMILESO=C(O)CC1(Oc2cc(F)ccc2[N+](=O)[O-])CCC1
InChIInChI=1S/C12H12FNO5/c13-8-2-3-9(14(17)18)10(6-8)19-12(4-1-5-12)7-11(15)16/h2-3,6H,1,4-5,7H2,(H,15,16)
InChIKeyHNPRDUCVQGVHMS-UHFFFAOYSA-N
XLogP2.51
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-chloro-5-nitrophenoxy)cyclobutyl]acetic acid
CID 103272753
1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol
CID 65213300
2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65498478
ethyl (5-fluoro-2-nitrophenyl) carbonate
CID 91722650
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
(5-fluoro-2-nitrophenyl) 1-cyanocyclohexane-1-carboxylate
CID 60584103
1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 63903263
5-fluoro-N-[(1-methoxycyclobutyl)methyl]-2-nitroaniline
CID 107302364
2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid
CID 103272411
2-(cyclohexylmethoxy)-4-fluoro-1-nitrobenzene
CID 58735850
1-[(5-fluoro-2-nitrophenyl)methyl]cyclohexane-1-carboxylic acid
CID 62739549
1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutan-1-amine
CID 65196630

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid (CID 103272433) is 2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid is O=C(O)CC1(Oc2cc(F)ccc2[N+](=O)[O-])CCC1.
What is the InChIKey of 2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid?
The InChIKey is HNPRDUCVQGVHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO5/c13-8-2-3-9(14(17)18)10(6-8)19-12(4-1-5-12)7-11(15)16/h2-3,6H,1,4-5,7H2,(H,15,16).
What are the key properties of 2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid?
2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid has a molecular weight of 269.23 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid is sourced from PubChem (CID 103272433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).