2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid

C9H13F2NO4 — CID 103513307

IUPAC2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C9H13F2NO4/c10-8(11)9(15)12-3-1-6(2-4-12)16-5-7(13)14/h6,8H,1-5H2,(H,13,14)
InChIKeyOBUWKSGBRGAZRQ-UHFFFAOYSA-N
MW237.20 g/mol
LogP0.34
Rot. Bonds4

About 2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid

2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid (PubChem CID 103513307) has the molecular formula C9H13F2NO4 and a molecular weight of 237.20 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid
PubChem CID103513307
Molecular FormulaC9H13F2NO4
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C9H13F2NO4/c10-8(11)9(15)12-3-1-6(2-4-12)16-5-7(13)14/h6,8H,1-5H2,(H,13,14)
InChIKeyOBUWKSGBRGAZRQ-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid
CID 63904700
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209
2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63877317
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553
2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid
CID 63877468
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875575
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63903774
2-[1-[2-methoxyethyl(propan-2-yl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 82939729
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
2-[1-(pentan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876957

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid (CID 103513307) is 2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)C(F)F)CC1.
What is the InChIKey of 2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is OBUWKSGBRGAZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO4/c10-8(11)9(15)12-3-1-6(2-4-12)16-5-7(13)14/h6,8H,1-5H2,(H,13,14).
What are the key properties of 2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 237.20 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 103513307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).