N,N-diethylethanamine;4-fluorobenzoic acid

C13H20FNO2 — CID 71324122

IUPACN,N-diethylethanamine;4-fluorobenzoic acid
SMILESCCN(CC)CC.O=C(O)c1ccc(F)cc1
InChIInChI=1S/C7H5FO2.C6H15N/c8-6-3-1-5(2-4-6)7(9)10;1-4-7(5-2)6-3/h1-4H,(H,9,10);4-6H2,1-3H3
InChIKeyBIADOOIPWVSTDC-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.87
Rot. Bonds4

About N,N-diethylethanamine;4-fluorobenzoic acid

N,N-diethylethanamine;4-fluorobenzoic acid (PubChem CID 71324122) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is N,N-diethylethanamine;4-fluorobenzoic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;4-fluorobenzoic acid
PubChem CID71324122
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC NameN,N-diethylethanamine;4-fluorobenzoic acid
SMILESCCN(CC)CC.O=C(O)c1ccc(F)cc1
InChIInChI=1S/C7H5FO2.C6H15N/c8-6-3-1-5(2-4-6)7(9)10;1-4-7(5-2)6-3/h1-4H,(H,9,10);4-6H2,1-3H3
InChIKeyBIADOOIPWVSTDC-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethylethanamine;4-iodobenzoic acid
CID 71324124
2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 60649817
3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 115927903
propanoic acid;terephthalic acid
CID 158352815
3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 62052603
4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one
CID 43792937
4-[(4-fluoro-N-formylanilino)methyl]benzoic acid
CID 20848458
4-[ethyl(methyl)amino]-3-fluorobenzoic acid
CID 43263559
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
terephthalic acid
CID 160582437
4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one
CID 102995017

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;4-fluorobenzoic acid?
The IUPAC name of N,N-diethylethanamine;4-fluorobenzoic acid (CID 71324122) is N,N-diethylethanamine;4-fluorobenzoic acid.
What is the SMILES notation for N,N-diethylethanamine;4-fluorobenzoic acid?
The canonical SMILES for N,N-diethylethanamine;4-fluorobenzoic acid is CCN(CC)CC.O=C(O)c1ccc(F)cc1.
What is the InChIKey of N,N-diethylethanamine;4-fluorobenzoic acid?
The InChIKey is BIADOOIPWVSTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO2.C6H15N/c8-6-3-1-5(2-4-6)7(9)10;1-4-7(5-2)6-3/h1-4H,(H,9,10);4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;4-fluorobenzoic acid?
N,N-diethylethanamine;4-fluorobenzoic acid has a molecular weight of 241.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;4-fluorobenzoic acid is sourced from PubChem (CID 71324122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).