2-(cyclopropylmethoxy)-3-fluorobenzoic acid

C11H11FO3 — CID 62650953

IUPAC2-(cyclopropylmethoxy)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1OCC1CC1
InChIInChI=1S/C11H11FO3/c12-9-3-1-2-8(11(13)14)10(9)15-6-7-4-5-7/h1-3,7H,4-6H2,(H,13,14)
InChIKeyRAWGAYQUXFCBJC-UHFFFAOYSA-N
MW210.20 g/mol
LogP2.31
Rot. Bonds4

About 2-(cyclopropylmethoxy)-3-fluorobenzoic acid

2-(cyclopropylmethoxy)-3-fluorobenzoic acid (PubChem CID 62650953) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-3-fluorobenzoic acid
PubChem CID62650953
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name2-(cyclopropylmethoxy)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1OCC1CC1
InChIInChI=1S/C11H11FO3/c12-9-3-1-2-8(11(13)14)10(9)15-6-7-4-5-7/h1-3,7H,4-6H2,(H,13,14)
InChIKeyRAWGAYQUXFCBJC-UHFFFAOYSA-N
XLogP2.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethoxy)-3-fluorobenzoic acid
CID 62650140
3-fluoro-2-(oxan-4-ylmethoxy)benzoic acid
CID 62650307
3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one
CID 117346682
3-chloro-2-(cyclobutylmethoxy)benzoic acid
CID 112611920
2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid
CID 114930307
3-fluoro-2-(2-methoxyethoxy)benzoic acid
CID 62650952
1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene
CID 59382984
2-butoxy-3-fluorobenzoic acid
CID 62648647
3-fluoro-2-(4-methoxybutoxy)benzoic acid
CID 104647732
3-chloro-2-[(3,3-difluorocyclopentyl)methoxy]benzoic acid
CID 114224112
tert-butyl 3-[2-(cyclopropylmethoxy)-3-fluorobenzoyl]piperidine-1-carboxylate
CID 67193895
2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride
CID 84711266

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-3-fluorobenzoic acid?
The IUPAC name of 2-(cyclopropylmethoxy)-3-fluorobenzoic acid (CID 62650953) is 2-(cyclopropylmethoxy)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(cyclopropylmethoxy)-3-fluorobenzoic acid?
The canonical SMILES for 2-(cyclopropylmethoxy)-3-fluorobenzoic acid is O=C(O)c1cccc(F)c1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-3-fluorobenzoic acid?
The InChIKey is RAWGAYQUXFCBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c12-9-3-1-2-8(11(13)14)10(9)15-6-7-4-5-7/h1-3,7H,4-6H2,(H,13,14).
What are the key properties of 2-(cyclopropylmethoxy)-3-fluorobenzoic acid?
2-(cyclopropylmethoxy)-3-fluorobenzoic acid has a molecular weight of 210.20 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-3-fluorobenzoic acid is sourced from PubChem (CID 62650953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).