2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid

C8H14FNO2 — CID 67250837

IUPAC2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid
SMILESCC1(C)CCN(C(=O)O)C(F)C1
InChIInChI=1S/C8H14FNO2/c1-8(2)3-4-10(7(11)12)6(9)5-8/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeySATGVDFDIYNPKS-UHFFFAOYSA-N
MW175.20 g/mol
LogP2.08
Rot. Bonds

About 2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid

2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid (PubChem CID 67250837) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid
PubChem CID67250837
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid
SMILESCC1(C)CCN(C(=O)O)C(F)C1
InChIInChI=1S/C8H14FNO2/c1-8(2)3-4-10(7(11)12)6(9)5-8/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeySATGVDFDIYNPKS-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid?
The IUPAC name of 2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid (CID 67250837) is 2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid is CC1(C)CCN(C(=O)O)C(F)C1.
What is the InChIKey of 2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid?
The InChIKey is SATGVDFDIYNPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-8(2)3-4-10(7(11)12)6(9)5-8/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid?
2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid has a molecular weight of 175.20 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,4-dimethylpiperidine-1-carboxylic acid is sourced from PubChem (CID 67250837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).