[5-(trifluoromethyl)piperidin-3-yl]carbamic acid

C7H11F3N2O2 — CID 67500544

IUPAC[5-(trifluoromethyl)piperidin-3-yl]carbamic acid
SMILESO=C(O)NC1CNCC(C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)4-1-5(3-11-2-4)12-6(13)14/h4-5,11-12H,1-3H2,(H,13,14)
InChIKeyAOJKNEKRNDHWPY-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.79
Rot. Bonds1

About [5-(trifluoromethyl)piperidin-3-yl]carbamic acid

[5-(trifluoromethyl)piperidin-3-yl]carbamic acid (PubChem CID 67500544) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is [5-(trifluoromethyl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[5-(trifluoromethyl)piperidin-3-yl]carbamic acid
PubChem CID67500544
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name[5-(trifluoromethyl)piperidin-3-yl]carbamic acid
SMILESO=C(O)NC1CNCC(C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)4-1-5(3-11-2-4)12-6(13)14/h4-5,11-12H,1-3H2,(H,13,14)
InChIKeyAOJKNEKRNDHWPY-UHFFFAOYSA-N
XLogP0.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)piperidin-3-yl]carbamic acid?
The IUPAC name of [5-(trifluoromethyl)piperidin-3-yl]carbamic acid (CID 67500544) is [5-(trifluoromethyl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for [5-(trifluoromethyl)piperidin-3-yl]carbamic acid?
The canonical SMILES for [5-(trifluoromethyl)piperidin-3-yl]carbamic acid is O=C(O)NC1CNCC(C(F)(F)F)C1.
What is the InChIKey of [5-(trifluoromethyl)piperidin-3-yl]carbamic acid?
The InChIKey is AOJKNEKRNDHWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)4-1-5(3-11-2-4)12-6(13)14/h4-5,11-12H,1-3H2,(H,13,14).
What are the key properties of [5-(trifluoromethyl)piperidin-3-yl]carbamic acid?
[5-(trifluoromethyl)piperidin-3-yl]carbamic acid has a molecular weight of 212.17 g/mol, XLogP of 0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 67500544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).