2-[2-(difluoromethyl)piperidin-4-yl]acetic acid

C8H13F2NO2 — CID 175375755

IUPAC2-[2-(difluoromethyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNC(C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c9-8(10)6-3-5(1-2-11-6)4-7(12)13/h5-6,8,11H,1-4H2,(H,12,13)
InChIKeyWNVPKWPPNGKDTD-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.09
Rot. Bonds3

About 2-[2-(difluoromethyl)piperidin-4-yl]acetic acid

2-[2-(difluoromethyl)piperidin-4-yl]acetic acid (PubChem CID 175375755) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)piperidin-4-yl]acetic acid
PubChem CID175375755
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2-[2-(difluoromethyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNC(C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c9-8(10)6-3-5(1-2-11-6)4-7(12)13/h5-6,8,11H,1-4H2,(H,12,13)
InChIKeyWNVPKWPPNGKDTD-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[2-(difluoromethyl)piperidin-4-yl]acetic acid (CID 175375755) is 2-[2-(difluoromethyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-(difluoromethyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCNC(C(F)F)C1.
What is the InChIKey of 2-[2-(difluoromethyl)piperidin-4-yl]acetic acid?
The InChIKey is WNVPKWPPNGKDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-8(10)6-3-5(1-2-11-6)4-7(12)13/h5-6,8,11H,1-4H2,(H,12,13).
What are the key properties of 2-[2-(difluoromethyl)piperidin-4-yl]acetic acid?
2-[2-(difluoromethyl)piperidin-4-yl]acetic acid has a molecular weight of 193.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 175375755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).