1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid

C13H16FNO2 — CID 116958929

IUPAC1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCNC(c1ccc(F)cc1)C1(C(=O)O)CCC1
InChIInChI=1S/C13H16FNO2/c1-15-11(9-3-5-10(14)6-4-9)13(12(16)17)7-2-8-13/h3-6,11,15H,2,7-8H2,1H3,(H,16,17)
InChIKeyWFNUOUAQJLJNAD-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.34
Rot. Bonds4

About 1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid

1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 116958929) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID116958929
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCNC(c1ccc(F)cc1)C1(C(=O)O)CCC1
InChIInChI=1S/C13H16FNO2/c1-15-11(9-3-5-10(14)6-4-9)13(12(16)17)7-2-8-13/h3-6,11,15H,2,7-8H2,1H3,(H,16,17)
InChIKeyWFNUOUAQJLJNAD-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958932
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 116958953
1-[methylamino-(4-methylsulfanylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116958178
1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958196
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958937
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144
1-[(4-ethylsulfanylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958179
methyl 1-[(4-chlorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylate
CID 116959110
N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine
CID 79070190
1-[(2,5-dimethylphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958928
1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958521
1-[1-benzofuran-3-yl(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958973

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid (CID 116958929) is 1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid is CNC(c1ccc(F)cc1)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is WFNUOUAQJLJNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15-11(9-3-5-10(14)6-4-9)13(12(16)17)7-2-8-13/h3-6,11,15H,2,7-8H2,1H3,(H,16,17).
What are the key properties of 1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116958929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).