(2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine

C10H16F2N4 — CID 82713988

IUPAC(2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1Cc1nccn1C(F)F
InChIInChI=1S/C10H16F2N4/c1-8-6-13-2-4-15(8)7-9-14-3-5-16(9)10(11)12/h3,5,8,10,13H,2,4,6-7H2,1H3/t8-/m1/s1
InChIKeyFTNSDFLEBASIHF-MRVPVSSYSA-N
MW230.26 g/mol
LogP1.07
Rot. Bonds3

About (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine

(2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine (PubChem CID 82713988) has the molecular formula C10H16F2N4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine
PubChem CID82713988
Molecular FormulaC10H16F2N4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1Cc1nccn1C(F)F
InChIInChI=1S/C10H16F2N4/c1-8-6-13-2-4-15(8)7-9-14-3-5-16(9)10(11)12/h3,5,8,10,13H,2,4,6-7H2,1H3/t8-/m1/s1
InChIKeyFTNSDFLEBASIHF-MRVPVSSYSA-N
XLogP1.07
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine (CID 82713988) is (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine is C[C@@H]1CNCCN1Cc1nccn1C(F)F.
What is the InChIKey of (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine?
The InChIKey is FTNSDFLEBASIHF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16F2N4/c1-8-6-13-2-4-15(8)7-9-14-3-5-16(9)10(11)12/h3,5,8,10,13H,2,4,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine?
(2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine has a molecular weight of 230.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine is sourced from PubChem (CID 82713988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).