(2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane

C12H26F2N2 — CID 172575447

IUPAC(2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane
SMILESCC.CCN1CCN(C(C)C)C[C@@H]1C(F)F
InChIInChI=1S/C10H20F2N2.C2H6/c1-4-13-5-6-14(8(2)3)7-9(13)10(11)12;1-2/h8-10H,4-7H2,1-3H3;1-2H3/t9-;/m1./s1
InChIKeyDTAVSOVUDWEOEF-SBSPUUFOSA-N
MW236.35 g/mol
LogP2.69
Rot. Bonds3

About (2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane

(2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane (PubChem CID 172575447) has the molecular formula C12H26F2N2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane.

Molecular Properties

Compound Name(2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane
PubChem CID172575447
Molecular FormulaC12H26F2N2
Molecular Weight236.35 g/mol
Exact Mass236.21
IUPAC Name(2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane
SMILESCC.CCN1CCN(C(C)C)C[C@@H]1C(F)F
InChIInChI=1S/C10H20F2N2.C2H6/c1-4-13-5-6-14(8(2)3)7-9(13)10(11)12;1-2/h8-10H,4-7H2,1-3H3;1-2H3/t9-;/m1./s1
InChIKeyDTAVSOVUDWEOEF-SBSPUUFOSA-N
XLogP2.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane?
The IUPAC name of (2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane (CID 172575447) is (2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane.
What is the SMILES notation for (2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane?
The canonical SMILES for (2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane is CC.CCN1CCN(C(C)C)C[C@@H]1C(F)F.
What is the InChIKey of (2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane?
The InChIKey is DTAVSOVUDWEOEF-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H20F2N2.C2H6/c1-4-13-5-6-14(8(2)3)7-9(13)10(11)12;1-2/h8-10H,4-7H2,1-3H3;1-2H3/t9-;/m1./s1.
What are the key properties of (2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane?
(2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane has a molecular weight of 236.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane is sourced from PubChem (CID 172575447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).