N-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid

C11H16FNO3 — CID 88696250

IUPACN-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid
SMILESCCN(F)CC.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C4H10FN/c8-6-4-2-1-3-5(6)7(9)10;1-3-6(5)4-2/h1-4,8H,(H,9,10);3-4H2,1-2H3
InChIKeyXNHNLQUCPHFBBH-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.30
Rot. Bonds3

About N-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid

N-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid (PubChem CID 88696250) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is N-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid.

Molecular Properties

Compound NameN-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid
PubChem CID88696250
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC NameN-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid
SMILESCCN(F)CC.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C4H10FN/c8-6-4-2-1-3-5(6)7(9)10;1-3-6(5)4-2/h1-4,8H,(H,9,10);3-4H2,1-2H3
InChIKeyXNHNLQUCPHFBBH-UHFFFAOYSA-N
XLogP2.30
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;2-hydroxybenzoic acid
CID 173188925
2-hydroxybenzoic acid;hydrobromide
CID 70122828
CID 87183669
CID 87183669
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
docosane;2-hydroxybenzoic acid
CID 161423500
boric acid;N-bromo-3-ethyl-N-fluoropentan-3-amine;2-hydroxybenzoic acid
CID 175209555
N-ethylethanamine;2-hydroxybenzoic acid;hydrate
CID 159203419

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid?
The IUPAC name of N-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid (CID 88696250) is N-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid.
What is the SMILES notation for N-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid?
The canonical SMILES for N-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid is CCN(F)CC.O=C(O)c1ccccc1O.
What is the InChIKey of N-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid?
The InChIKey is XNHNLQUCPHFBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C4H10FN/c8-6-4-2-1-3-5(6)7(9)10;1-3-6(5)4-2/h1-4,8H,(H,9,10);3-4H2,1-2H3.
What are the key properties of N-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid?
N-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid has a molecular weight of 229.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid is sourced from PubChem (CID 88696250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).