2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid

C14H17FO3 — CID 117383717

IUPAC2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid
SMILESCOc1c(C(C)F)cccc1C1(CC(=O)O)CC1
InChIInChI=1S/C14H17FO3/c1-9(15)10-4-3-5-11(13(10)18-2)14(6-7-14)8-12(16)17/h3-5,9H,6-8H2,1-2H3,(H,16,17)
InChIKeyBKGJDKLIWIFUTG-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.23
Rot. Bonds5

About 2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid

2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid (PubChem CID 117383717) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid
PubChem CID117383717
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid
SMILESCOc1c(C(C)F)cccc1C1(CC(=O)O)CC1
InChIInChI=1S/C14H17FO3/c1-9(15)10-4-3-5-11(13(10)18-2)14(6-7-14)8-12(16)17/h3-5,9H,6-8H2,1-2H3,(H,16,17)
InChIKeyBKGJDKLIWIFUTG-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117348864
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117383747
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol
CID 117300377
2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid
CID 117415115
2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid
CID 84790886
2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
CID 84789631
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-(3-fluoro-4-hydroxy-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800393
2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid
CID 84691082
2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117469305
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid (CID 117383717) is 2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid is COc1c(C(C)F)cccc1C1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid?
The InChIKey is BKGJDKLIWIFUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-9(15)10-4-3-5-11(13(10)18-2)14(6-7-14)8-12(16)17/h3-5,9H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid?
2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid has a molecular weight of 252.28 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117383717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).