piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone

C10H11F3N2O2 — CID 110834030

IUPACpiperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)co1)N1CCNCC1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7-5-8(17-6-7)9(16)15-3-1-14-2-4-15/h5-6,14H,1-4H2
InChIKeyPIIUPKBRYGCZPT-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.34
Rot. Bonds1

About piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone

piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone (PubChem CID 110834030) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone
PubChem CID110834030
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Namepiperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)co1)N1CCNCC1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7-5-8(17-6-7)9(16)15-3-1-14-2-4-15/h5-6,14H,1-4H2
InChIKeyPIIUPKBRYGCZPT-UHFFFAOYSA-N
XLogP1.34
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]methyl piperazine-1-carboxylate
CID 87123270
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459
1,4-diazepan-1-yl-[2-fluoro-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119418441
2-amino-1-[4-(trifluoromethyl)furan-2-yl]ethanone
CID 82402398
(3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone
CID 117218069
5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid
CID 104606942
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone
CID 28776622
1,4-diazepan-1-yl(1,3-oxazol-5-yl)methanone
CID 83617619
[2-[3,5-bis(trifluoromethyl)phenyl]quinolin-6-yl]-piperazin-1-ylmethanone
CID 58874526
1,4-diazepan-1-yl-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 119415426
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone?
The IUPAC name of piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone (CID 110834030) is piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone?
The canonical SMILES for piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone is O=C(c1cc(C(F)(F)F)co1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone?
The InChIKey is PIIUPKBRYGCZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)7-5-8(17-6-7)9(16)15-3-1-14-2-4-15/h5-6,14H,1-4H2.
What are the key properties of piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone?
piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone has a molecular weight of 248.20 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone is sourced from PubChem (CID 110834030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).