(2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine

C11H22F2N2 — CID 71203048

IUPAC(2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC(C)(F)F)C[C@@H]1C
InChIInChI=1S/C11H22F2N2/c1-9(2)15-6-5-14(7-10(15)3)8-11(4,12)13/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyRLSHNSHMLPPXJR-JTQLQIEISA-N
MW220.31 g/mol
LogP2.06
Rot. Bonds3

About (2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine

(2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine (PubChem CID 71203048) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine
PubChem CID71203048
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name(2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC(C)(F)F)C[C@@H]1C
InChIInChI=1S/C11H22F2N2/c1-9(2)15-6-5-14(7-10(15)3)8-11(4,12)13/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyRLSHNSHMLPPXJR-JTQLQIEISA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine?
The IUPAC name of (2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine (CID 71203048) is (2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine.
What is the SMILES notation for (2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine?
The canonical SMILES for (2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine is CC(C)N1CCN(CC(C)(F)F)C[C@@H]1C.
What is the InChIKey of (2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine?
The InChIKey is RLSHNSHMLPPXJR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22F2N2/c1-9(2)15-6-5-14(7-10(15)3)8-11(4,12)13/h9-10H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine?
(2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine has a molecular weight of 220.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2,2-difluoropropyl)-2-methyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 71203048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).