2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid

C9H15F2NO2 — CID 61010421

IUPAC2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1CC(F)F
InChIInChI=1S/C9H15F2NO2/c10-8(11)6-12-4-2-1-3-7(12)5-9(13)14/h7-8H,1-6H2,(H,13,14)
InChIKeyGQXGTYGDXFABKO-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.58
Rot. Bonds4

About 2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid

2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid (PubChem CID 61010421) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid
PubChem CID61010421
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1CC(F)F
InChIInChI=1S/C9H15F2NO2/c10-8(11)6-12-4-2-1-3-7(12)5-9(13)14/h7-8H,1-6H2,(H,13,14)
InChIKeyGQXGTYGDXFABKO-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,2-difluoroethyl)thiomorpholin-3-yl]acetic acid
CID 66445733
2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
CID 54899772
2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid
CID 81113634
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde
CID 84655882
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388
2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]acetic acid
CID 54960865
1-(2,2-difluoroethyl)azepane-2-carbaldehyde
CID 84663152
2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid
CID 61009719
2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899773
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
CID 79537849
2-[1-(2-hydroxy-2-phenylethyl)pyrrolidin-2-yl]acetic acid
CID 61372497

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid (CID 61010421) is 2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1CC(F)F.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid?
The InChIKey is GQXGTYGDXFABKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-8(11)6-12-4-2-1-3-7(12)5-9(13)14/h7-8H,1-6H2,(H,13,14).
What are the key properties of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid?
2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid has a molecular weight of 207.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).