2-(5-fluoropiperidin-2-yl)acetic acid

C7H12FNO2 — CID 88982648

IUPAC2-(5-fluoropiperidin-2-yl)acetic acid
SMILESO=C(O)CC1CCC(F)CN1
InChIInChI=1S/C7H12FNO2/c8-5-1-2-6(9-4-5)3-7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKeyLXKBIWDNMVBQQZ-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.55
Rot. Bonds2

About 2-(5-fluoropiperidin-2-yl)acetic acid

2-(5-fluoropiperidin-2-yl)acetic acid (PubChem CID 88982648) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-(5-fluoropiperidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoropiperidin-2-yl)acetic acid
PubChem CID88982648
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name2-(5-fluoropiperidin-2-yl)acetic acid
SMILESO=C(O)CC1CCC(F)CN1
InChIInChI=1S/C7H12FNO2/c8-5-1-2-6(9-4-5)3-7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKeyLXKBIWDNMVBQQZ-UHFFFAOYSA-N
XLogP0.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropiperidin-2-yl)acetic acid?
The IUPAC name of 2-(5-fluoropiperidin-2-yl)acetic acid (CID 88982648) is 2-(5-fluoropiperidin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoropiperidin-2-yl)acetic acid?
The canonical SMILES for 2-(5-fluoropiperidin-2-yl)acetic acid is O=C(O)CC1CCC(F)CN1.
What is the InChIKey of 2-(5-fluoropiperidin-2-yl)acetic acid?
The InChIKey is LXKBIWDNMVBQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-5-1-2-6(9-4-5)3-7(10)11/h5-6,9H,1-4H2,(H,10,11).
What are the key properties of 2-(5-fluoropiperidin-2-yl)acetic acid?
2-(5-fluoropiperidin-2-yl)acetic acid has a molecular weight of 161.18 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropiperidin-2-yl)acetic acid is sourced from PubChem (CID 88982648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).