N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide

C8H14F3N3O — CID 67612386

IUPACN-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCNCC1)C(F)(F)F
InChIInChI=1S/C8H14F3N3O/c1-6(8(9,10)11)13-7(15)14-4-2-12-3-5-14/h6,12H,2-5H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyVMOCLSDXURXIAW-ZCFIWIBFSA-N
MW225.21 g/mol
LogP0.55
Rot. Bonds1

About N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide

N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide (PubChem CID 67612386) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
PubChem CID67612386
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC NameN-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCNCC1)C(F)(F)F
InChIInChI=1S/C8H14F3N3O/c1-6(8(9,10)11)13-7(15)14-4-2-12-3-5-14/h6,12H,2-5H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyVMOCLSDXURXIAW-ZCFIWIBFSA-N
XLogP0.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide (CID 67612386) is N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide is C[C@@H](NC(=O)N1CCNCC1)C(F)(F)F.
What is the InChIKey of N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide?
The InChIKey is VMOCLSDXURXIAW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14F3N3O/c1-6(8(9,10)11)13-7(15)14-4-2-12-3-5-14/h6,12H,2-5H2,1H3,(H,13,15)/t6-/m1/s1.
What are the key properties of N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide?
N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide has a molecular weight of 225.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 67612386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).