1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine

C8H13F5N2 — CID 155217298

IUPAC1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine
SMILESCC(F)C(F)N1CCN(C(F)(F)F)CC1
InChIInChI=1S/C8H13F5N2/c1-6(9)7(10)14-2-4-15(5-3-14)8(11,12)13/h6-7H,2-5H2,1H3
InChIKeyRDKSIWWFRBCXAA-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.78
Rot. Bonds2

About 1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine

1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine (PubChem CID 155217298) has the molecular formula C8H13F5N2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine
PubChem CID155217298
Molecular FormulaC8H13F5N2
Molecular Weight232.20 g/mol
Exact Mass232.10
IUPAC Name1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine
SMILESCC(F)C(F)N1CCN(C(F)(F)F)CC1
InChIInChI=1S/C8H13F5N2/c1-6(9)7(10)14-2-4-15(5-3-14)8(11,12)13/h6-7H,2-5H2,1H3
InChIKeyRDKSIWWFRBCXAA-UHFFFAOYSA-N
XLogP1.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.78
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-propan-2-yl-4-(trifluoromethyl)-1,4-diazepane
CID 155312343
N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine
CID 126486742
1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine
CID 130427264
1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine
CID 129271800
1-(1,1,2,3,3-pentafluoroprop-2-enyl)-4-(trifluoromethyl)piperazine
CID 129271427
1-[1-(aziridin-1-yl)ethyl]aziridine
CID 175406803
1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine
CID 129207512
1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 158395030
1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine
CID 137452158
1-(1,2,2-trifluoroethyl)pyrrolidine
CID 69400979
2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 43585088
1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine
CID 177304576

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine (CID 155217298) is 1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine is CC(F)C(F)N1CCN(C(F)(F)F)CC1.
What is the InChIKey of 1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine?
The InChIKey is RDKSIWWFRBCXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F5N2/c1-6(9)7(10)14-2-4-15(5-3-14)8(11,12)13/h6-7H,2-5H2,1H3.
What are the key properties of 1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine?
1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine has a molecular weight of 232.20 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 155217298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).