difluoromethyl 2-methylpiperazine-1-carboxylate

C7H12F2N2O2 — CID 167451219

IUPACdifluoromethyl 2-methylpiperazine-1-carboxylate
SMILESCC1CNCCN1C(=O)OC(F)F
InChIInChI=1S/C7H12F2N2O2/c1-5-4-10-2-3-11(5)7(12)13-6(8)9/h5-6,10H,2-4H2,1H3
InChIKeyOQLVYGDRANZLIZ-UHFFFAOYSA-N
MW194.18 g/mol
LogP0.64
Rot. Bonds1

About difluoromethyl 2-methylpiperazine-1-carboxylate

difluoromethyl 2-methylpiperazine-1-carboxylate (PubChem CID 167451219) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is difluoromethyl 2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Namedifluoromethyl 2-methylpiperazine-1-carboxylate
PubChem CID167451219
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Namedifluoromethyl 2-methylpiperazine-1-carboxylate
SMILESCC1CNCCN1C(=O)OC(F)F
InChIInChI=1S/C7H12F2N2O2/c1-5-4-10-2-3-11(5)7(12)13-6(8)9/h5-6,10H,2-4H2,1H3
InChIKeyOQLVYGDRANZLIZ-UHFFFAOYSA-N
XLogP0.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 3-(trifluoromethyl)piperazine-1-carboxylate
CID 66599850
Tert-butyl 3-(difluoromethyl)piperazine-1-carboxylate
CID 67054906
Tert-butyl 2-(difluoromethyl)piperazine-1-carboxylate
CID 68402707
Tert-butyl 2-(trifluoromethyl)piperazine-1-carboxylate
CID 72206995
methyl (2S)-2-methylpiperazine-1-carboxylate hydrochloride
CID 118918518
methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 43604140
3-(Trifluoromethyl)piperazine-1-carbaldehyde
CID 50989380
3-(Trifluoromethyl)piperazine-1-carboxylic acid
CID 67513401
2-(Trifluoromethyl)piperazine-1-carboxylic acid
CID 68728065
Ethyl 2-(trifluoromethyl)piperazine-1-carboxylate
CID 68748552
tert-butyl (2R,5R)-5-(difluoromethyl)-2-methylpiperazine-1-carboxylate
CID 70980621
methyl N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]carbamate
CID 71289295

Frequently Asked Questions

What is the IUPAC name of difluoromethyl 2-methylpiperazine-1-carboxylate?
The IUPAC name of difluoromethyl 2-methylpiperazine-1-carboxylate (CID 167451219) is difluoromethyl 2-methylpiperazine-1-carboxylate.
What is the SMILES notation for difluoromethyl 2-methylpiperazine-1-carboxylate?
The canonical SMILES for difluoromethyl 2-methylpiperazine-1-carboxylate is CC1CNCCN1C(=O)OC(F)F.
What is the InChIKey of difluoromethyl 2-methylpiperazine-1-carboxylate?
The InChIKey is OQLVYGDRANZLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c1-5-4-10-2-3-11(5)7(12)13-6(8)9/h5-6,10H,2-4H2,1H3.
What are the key properties of difluoromethyl 2-methylpiperazine-1-carboxylate?
difluoromethyl 2-methylpiperazine-1-carboxylate has a molecular weight of 194.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl 2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 167451219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).