1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid

C13H15FO3 — CID 117348864

IUPAC1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid
SMILESCOc1c(C(C)F)cccc1C1(C(=O)O)CC1
InChIInChI=1S/C13H15FO3/c1-8(14)9-4-3-5-10(11(9)17-2)13(6-7-13)12(15)16/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyTZZAHENVCHQUTI-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.84
Rot. Bonds4

About 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid

1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid (PubChem CID 117348864) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid
PubChem CID117348864
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid
SMILESCOc1c(C(C)F)cccc1C1(C(=O)O)CC1
InChIInChI=1S/C13H15FO3/c1-8(14)9-4-3-5-10(11(9)17-2)13(6-7-13)12(15)16/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyTZZAHENVCHQUTI-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117383747
1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117442750
2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid
CID 117383717
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol
CID 117300377
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117383748
2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid
CID 84691082
1-[2-(difluoromethyl)-6-methoxyphenyl]cyclopentane-1-carboxylic acid
CID 117428762
1-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]cyclopropane-1-carboxylic acid
CID 117424245
1-[2-(difluoromethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117393640
1-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]cyclopentane-1-carboxylic acid
CID 117477567
1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117321558

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid (CID 117348864) is 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid is COc1c(C(C)F)cccc1C1(C(=O)O)CC1.
What is the InChIKey of 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid?
The InChIKey is TZZAHENVCHQUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-8(14)9-4-3-5-10(11(9)17-2)13(6-7-13)12(15)16/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid?
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117348864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).