5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride

C10H13ClFNO3 — CID 170915770

IUPAC5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride
SMILESCC(N)COc1ccc(F)c(C(=O)O)c1.Cl
InChIInChI=1S/C10H12FNO3.ClH/c1-6(12)5-15-7-2-3-9(11)8(4-7)10(13)14;/h2-4,6H,5,12H2,1H3,(H,13,14);1H
InChIKeyIIIRONDGGMDQRG-UHFFFAOYSA-N
MW249.67 g/mol
LogP1.67
Rot. Bonds4

About 5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride

5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride (PubChem CID 170915770) has the molecular formula C10H13ClFNO3 and a molecular weight of 249.67 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride
PubChem CID170915770
Molecular FormulaC10H13ClFNO3
Molecular Weight249.67 g/mol
Exact Mass249.06
IUPAC Name5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride
SMILESCC(N)COc1ccc(F)c(C(=O)O)c1.Cl
InChIInChI=1S/C10H12FNO3.ClH/c1-6(12)5-15-7-2-3-9(11)8(4-7)10(13)14;/h2-4,6H,5,12H2,1H3,(H,13,14);1H
InChIKeyIIIRONDGGMDQRG-UHFFFAOYSA-N
XLogP1.67
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropoxy)-2-chlorobenzoic acid
CID 167724006
3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride
CID 170916397
4-(3-amino-2-methyl-3-oxopropoxy)-2-fluorobenzoic acid
CID 107675315
2-fluoro-4-(3-hydroxy-2-methylpropoxy)benzoic acid
CID 107675405
1-(2,3,4-trifluorophenoxy)propan-2-amine
CID 83396701
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262544
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
2-fluoro-5-(2-methylpropoxycarbonylamino)benzoic acid
CID 60827611
4-(2-fluoro-4-hydroxybutoxy)phthalic acid
CID 174207072
1-(5-ethoxy-2-fluorophenyl)-3-methylbutan-1-one
CID 83988127
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine
CID 86262545
4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid
CID 155925871

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride?
The IUPAC name of 5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride (CID 170915770) is 5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride.
What is the SMILES notation for 5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride?
The canonical SMILES for 5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride is CC(N)COc1ccc(F)c(C(=O)O)c1.Cl.
What is the InChIKey of 5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride?
The InChIKey is IIIRONDGGMDQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3.ClH/c1-6(12)5-15-7-2-3-9(11)8(4-7)10(13)14;/h2-4,6H,5,12H2,1H3,(H,13,14);1H.
What are the key properties of 5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride?
5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride has a molecular weight of 249.67 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride is sourced from PubChem (CID 170915770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).