3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid

C13H16FNO4 — CID 112612211

IUPAC3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid
SMILESO=C(O)c1cccc(F)c1OCCN1CCOCC1
InChIInChI=1S/C13H16FNO4/c14-11-3-1-2-10(13(16)17)12(11)19-9-6-15-4-7-18-8-5-15/h1-3H,4-9H2,(H,16,17)
InChIKeyRDYMLCOIIQCBEO-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.23
Rot. Bonds5

About 3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid

3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid (PubChem CID 112612211) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid
PubChem CID112612211
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid
SMILESO=C(O)c1cccc(F)c1OCCN1CCOCC1
InChIInChI=1S/C13H16FNO4/c14-11-3-1-2-10(13(16)17)12(11)19-9-6-15-4-7-18-8-5-15/h1-3H,4-9H2,(H,16,17)
InChIKeyRDYMLCOIIQCBEO-UHFFFAOYSA-N
XLogP1.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(2-morpholin-4-ylethoxy)aniline
CID 113458214
3-fluoro-2-(oxan-4-ylmethoxy)benzoic acid
CID 62650307
3-fluoro-2-(2-methoxyethoxy)benzoic acid
CID 62650952
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
3-[2-[3-[2-(3-carboxy-2-hydroxyphenoxy)ethyl]-1,6-dioxa-3,9-diazacycloundec-9-yl]ethoxy]-2-hydroxybenzoic acid
CID 101400473
2-butoxy-3-fluorobenzoic acid
CID 62648647
N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 115955088
3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22442061
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
3-fluoro-2-(3-methoxy-3-oxopropoxy)benzoic acid
CID 112612253
2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid
CID 114930307
2-(cyclopropylmethoxy)-3-fluorobenzoic acid
CID 62650953

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid?
The IUPAC name of 3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid (CID 112612211) is 3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid?
The canonical SMILES for 3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid is O=C(O)c1cccc(F)c1OCCN1CCOCC1.
What is the InChIKey of 3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid?
The InChIKey is RDYMLCOIIQCBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c14-11-3-1-2-10(13(16)17)12(11)19-9-6-15-4-7-18-8-5-15/h1-3H,4-9H2,(H,16,17).
What are the key properties of 3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid?
3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid has a molecular weight of 269.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid is sourced from PubChem (CID 112612211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).