2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid

C12H13FO3 — CID 65497401

IUPAC2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(COc2cccc(F)c2)CC1
InChIInChI=1S/C12H13FO3/c13-9-2-1-3-10(6-9)16-8-12(4-5-12)7-11(14)15/h1-3,6H,4-5,7-8H2,(H,14,15)
InChIKeyULTIWCHTWBYEHN-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.46
Rot. Bonds5

About 2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid

2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid (PubChem CID 65497401) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid
PubChem CID65497401
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(COc2cccc(F)c2)CC1
InChIInChI=1S/C12H13FO3/c13-9-2-1-3-10(6-9)16-8-12(4-5-12)7-11(14)15/h1-3,6H,4-5,7-8H2,(H,14,15)
InChIKeyULTIWCHTWBYEHN-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498253
1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
CID 65213847
2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 107661550
[1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65010038
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
2-[1-[(3-fluorophenyl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65442084
2-[4-[(4-chlorophenoxy)methyl]-1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110080097
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
CID 65498468
2-[1-[2-(3-fluorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004495
1-[3-[(3-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
CID 132770532
2-[(3S)-1-[2-(3-fluorophenoxy)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 125017342
2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid
CID 65497398

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid (CID 65497401) is 2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid is O=C(O)CC1(COc2cccc(F)c2)CC1.
What is the InChIKey of 2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid?
The InChIKey is ULTIWCHTWBYEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-9-2-1-3-10(6-9)16-8-12(4-5-12)7-11(14)15/h1-3,6H,4-5,7-8H2,(H,14,15).
What are the key properties of 2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid?
2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid has a molecular weight of 224.23 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65497401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).