1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine

C9H14F6N2 — CID 84711201

IUPAC1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine
SMILESFC(F)(F)C(CCN1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H14F6N2/c10-8(11,12)7(9(13,14)15)1-4-17-5-2-16-3-6-17/h7,16H,1-6H2
InChIKeyFUBWREDHOWSIJZ-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.02
Rot. Bonds3

About 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine

1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine (PubChem CID 84711201) has the molecular formula C9H14F6N2 and a molecular weight of 264.21 g/mol. Its IUPAC name is 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine.

Molecular Properties

Compound Name1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine
PubChem CID84711201
Molecular FormulaC9H14F6N2
Molecular Weight264.21 g/mol
Exact Mass264.11
IUPAC Name1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine
SMILESFC(F)(F)C(CCN1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H14F6N2/c10-8(11,12)7(9(13,14)15)1-4-17-5-2-16-3-6-17/h7,16H,1-6H2
InChIKeyFUBWREDHOWSIJZ-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 141116403
1-(3-methylpentyl)piperazine
CID 45099566
4-methyl-1-piperazin-1-ylpentan-3-amine
CID 116939882
1-(1-piperazin-1-ylpentan-3-yl)piperazine
CID 57104516
1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine
CID 154281823
N-methyl-1-piperazin-1-ylpentan-3-amine
CID 116954941
4,4,4-trifluoro-1-piperazin-1-yl-3-(trifluoromethyl)butan-1-one
CID 84714810
1-(2-cyclopropyl-3,3,3-trifluoropropyl)piperazine
CID 83838684
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine
CID 91441427
1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 82073403
1-(8-methylnonyl)piperazine
CID 170614920

Frequently Asked Questions

What is the IUPAC name of 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine?
The IUPAC name of 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine (CID 84711201) is 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine.
What is the SMILES notation for 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine?
The canonical SMILES for 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine is FC(F)(F)C(CCN1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine?
The InChIKey is FUBWREDHOWSIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6N2/c10-8(11,12)7(9(13,14)15)1-4-17-5-2-16-3-6-17/h7,16H,1-6H2.
What are the key properties of 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine?
1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine has a molecular weight of 264.21 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine is sourced from PubChem (CID 84711201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).