2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid

C9H15F2NO2 — CID 62688773

IUPAC2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(CC(F)F)C1
InChIInChI=1S/C9H15F2NO2/c10-8(11)6-12-3-1-2-7(5-12)4-9(13)14/h7-8H,1-6H2,(H,13,14)
InChIKeyGFCQVLMMNIGGBC-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.44
Rot. Bonds4

About 2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid

2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid (PubChem CID 62688773) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid
PubChem CID62688773
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(CC(F)F)C1
InChIInChI=1S/C9H15F2NO2/c10-8(11)6-12-3-1-2-7(5-12)4-9(13)14/h7-8H,1-6H2,(H,13,14)
InChIKeyGFCQVLMMNIGGBC-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid (CID 62688773) is 2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(CC(F)F)C1.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid?
The InChIKey is GFCQVLMMNIGGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-8(11)6-12-3-1-2-7(5-12)4-9(13)14/h7-8H,1-6H2,(H,13,14).
What are the key properties of 2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid?
2-[1-(2,2-difluoroethyl)piperidin-3-yl]acetic acid has a molecular weight of 207.22 g/mol, XLogP of 1.44, 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-3-yl]acetic acid is sourced from PubChem (CID 62688773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).