4-(dimethylamino)-2-(fluoromethyl)butanoic acid

C7H14FNO2 — CID 145260125

IUPAC4-(dimethylamino)-2-(fluoromethyl)butanoic acid
SMILESCN(C)CCC(CF)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-9(2)4-3-6(5-8)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyBEZCBPVJIAHMHA-UHFFFAOYSA-N
MW163.19 g/mol
LogP0.61
Rot. Bonds5

About 4-(dimethylamino)-2-(fluoromethyl)butanoic acid

4-(dimethylamino)-2-(fluoromethyl)butanoic acid (PubChem CID 145260125) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(fluoromethyl)butanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2-(fluoromethyl)butanoic acid
PubChem CID145260125
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name4-(dimethylamino)-2-(fluoromethyl)butanoic acid
SMILESCN(C)CCC(CF)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-9(2)4-3-6(5-8)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyBEZCBPVJIAHMHA-UHFFFAOYSA-N
XLogP0.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(1-Methylazetidin-3-yl)acetic acid hydrochloride
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4-(Dimethylamino)-3-methylbutanoic acid hydrochloride
CID 137838643
3-((Dimethylamino)methyl)-4,4-difluorobutanoic acid hydrochloride
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2-(1-Methylazetidin-3-yl)acetic acid
CID 58669481
1-(Fluoromethyl)pyrrolidine-3-carboxylic acid
CID 67043464
3-Fluoro-1-methylpiperidine-4-carboxylic acid
CID 83854511
3-Fluoro-1-methylpyrrolidine-3-carboxylic acid
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4-(Dimethylamino)-2-fluorobutanoic acid
CID 84020804

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(fluoromethyl)butanoic acid?
The IUPAC name of 4-(dimethylamino)-2-(fluoromethyl)butanoic acid (CID 145260125) is 4-(dimethylamino)-2-(fluoromethyl)butanoic acid.
What is the SMILES notation for 4-(dimethylamino)-2-(fluoromethyl)butanoic acid?
The canonical SMILES for 4-(dimethylamino)-2-(fluoromethyl)butanoic acid is CN(C)CCC(CF)C(=O)O.
What is the InChIKey of 4-(dimethylamino)-2-(fluoromethyl)butanoic acid?
The InChIKey is BEZCBPVJIAHMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-9(2)4-3-6(5-8)7(10)11/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 4-(dimethylamino)-2-(fluoromethyl)butanoic acid?
4-(dimethylamino)-2-(fluoromethyl)butanoic acid has a molecular weight of 163.19 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(fluoromethyl)butanoic acid is sourced from PubChem (CID 145260125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).