2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid

C12H12FNO5 — CID 65498478

IUPAC2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(COc2ccc(F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H12FNO5/c13-8-1-2-10(9(5-8)14(17)18)19-7-12(3-4-12)6-11(15)16/h1-2,5H,3-4,6-7H2,(H,15,16)
InChIKeyRHGURVDPRAFHRH-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.37
Rot. Bonds6

About 2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid

2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid (PubChem CID 65498478) has the molecular formula C12H12FNO5 and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
PubChem CID65498478
Molecular FormulaC12H12FNO5
Molecular Weight269.23 g/mol
Exact Mass269.07
IUPAC Name2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(COc2ccc(F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H12FNO5/c13-8-1-2-10(9(5-8)14(17)18)19-7-12(3-4-12)6-11(15)16/h1-2,5H,3-4,6-7H2,(H,15,16)
InChIKeyRHGURVDPRAFHRH-UHFFFAOYSA-N
XLogP2.37
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.37
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-[(4-methoxy-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65496144
2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65495933
4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol
CID 81041016
1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine
CID 64573109
2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid
CID 65497401
1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol
CID 65213300
2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 107661550
2-[1-(5-fluoro-2-nitrophenoxy)cyclobutyl]acetic acid
CID 103272433
5-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62369027
4-[(1-hydroxycyclohexyl)methoxy]-3-nitrobenzoic acid
CID 65213761
1-(4-fluoro-2-nitrophenoxy)propan-2-ol
CID 65277245
1-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62368535

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid (CID 65498478) is 2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid is O=C(O)CC1(COc2ccc(F)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid?
The InChIKey is RHGURVDPRAFHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO5/c13-8-1-2-10(9(5-8)14(17)18)19-7-12(3-4-12)6-11(15)16/h1-2,5H,3-4,6-7H2,(H,15,16).
What are the key properties of 2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid?
2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid has a molecular weight of 269.23 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65498478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).