2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid

C13H15FO3 — CID 106206460

IUPAC2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1COCCC1CC1
InChIInChI=1S/C13H15FO3/c14-11-4-3-10(12(7-11)13(15)16)8-17-6-5-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,15,16)
InChIKeyMZKUXACHLFSQEG-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.84
Rot. Bonds6

About 2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid

2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid (PubChem CID 106206460) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid
PubChem CID106206460
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1COCCC1CC1
InChIInChI=1S/C13H15FO3/c14-11-4-3-10(12(7-11)13(15)16)8-17-6-5-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,15,16)
InChIKeyMZKUXACHLFSQEG-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 114157515
5-fluoro-2-(4,4,4-trifluorobutoxymethyl)benzoic acid
CID 82793146
3-(2-cyclopropylethoxymethyl)-4-fluorobenzoic acid
CID 106199330
5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid
CID 63292791
5-fluoro-2-(2-propan-2-yloxyethoxymethyl)benzoic acid
CID 63292747
5-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]benzoic acid
CID 63292963
2-(but-2-enoxymethyl)-5-fluorobenzoic acid
CID 76994570
2-(2-cyclopropylethoxymethyl)-4-fluorobenzonitrile
CID 106201262
(E)-3-[4-(2-cyclopropylethoxymethyl)-3-fluorophenyl]prop-2-enoic acid
CID 114157756
2-[2-(cyclopropylmethoxy)ethylamino]-5-fluorobenzoic acid
CID 114098784
4-(2-cyclopropylethoxymethyl)-3-fluoroaniline
CID 106199901
5-fluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)benzoic acid
CID 66277273

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid?
The IUPAC name of 2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid (CID 106206460) is 2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid?
The canonical SMILES for 2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1COCCC1CC1.
What is the InChIKey of 2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid?
The InChIKey is MZKUXACHLFSQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c14-11-4-3-10(12(7-11)13(15)16)8-17-6-5-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,15,16).
What are the key properties of 2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid?
2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid has a molecular weight of 238.26 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid is sourced from PubChem (CID 106206460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).