fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine

C8H16F4N2 — CID 54384968

IUPACfluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine
SMILESCF.CN1CCN(C(F)(F)CF)CC1
InChIInChI=1S/C7H13F3N2.CH3F/c1-11-2-4-12(5-3-11)7(9,10)6-8;1-2/h2-6H2,1H3;1H3
InChIKeyVCOMPVBGBFQFQH-UHFFFAOYSA-N
MW216.22 g/mol
LogP1.38
Rot. Bonds2

About fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine

fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine (PubChem CID 54384968) has the molecular formula C8H16F4N2 and a molecular weight of 216.22 g/mol. Its IUPAC name is fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Namefluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine
PubChem CID54384968
Molecular FormulaC8H16F4N2
Molecular Weight216.22 g/mol
Exact Mass216.12
IUPAC Namefluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine
SMILESCF.CN1CCN(C(F)(F)CF)CC1
InChIInChI=1S/C7H13F3N2.CH3F/c1-11-2-4-12(5-3-11)7(9,10)6-8;1-2/h2-6H2,1H3;1H3
InChIKeyVCOMPVBGBFQFQH-UHFFFAOYSA-N
XLogP1.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2-Fluoroethyl)-1,4-dimethylpiperazin-1-ium
CID 12138844
1-Methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
1-(2,2-Difluoroethyl)-4-(2-methylpropyl)piperazine
CID 48942244
CID 57541030
CID 57541030
1-Methyl-4-(3,3,3-trifluoropropyl)piperazine
CID 57639720
4-Ethyl-1-methyl-1-(1,1,2,2-tetrafluoroethyl)piperazin-1-ium
CID 57967219
1-Propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
CID 58029464
1-(2,2-Difluoroethyl)-4-propan-2-ylpiperazine
CID 58366788
1,4-Diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine
CID 58716088
1-Butyl-4-(2,2,2-trifluoroethyl)piperazine
CID 58762175
1-Methyl-4-(trifluoromethyl)piperazine
CID 59244644
1-(2-Methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 59603470

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine?
The IUPAC name of fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine (CID 54384968) is fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine.
What is the SMILES notation for fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine?
The canonical SMILES for fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine is CF.CN1CCN(C(F)(F)CF)CC1.
What is the InChIKey of fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine?
The InChIKey is VCOMPVBGBFQFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2.CH3F/c1-11-2-4-12(5-3-11)7(9,10)6-8;1-2/h2-6H2,1H3;1H3.
What are the key properties of fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine?
fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine has a molecular weight of 216.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine is sourced from PubChem (CID 54384968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).