2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine

C10H18F4N2O — CID 155003766

IUPAC2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine
SMILESCC(C)C1CNC(OCC(F)(F)C(F)F)CN1
InChIInChI=1S/C10H18F4N2O/c1-6(2)7-3-16-8(4-15-7)17-5-10(13,14)9(11)12/h6-9,15-16H,3-5H2,1-2H3
InChIKeyLCPFMODIAWQZTA-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.45
Rot. Bonds5

About 2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine

2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine (PubChem CID 155003766) has the molecular formula C10H18F4N2O and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine.

Molecular Properties

Compound Name2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine
PubChem CID155003766
Molecular FormulaC10H18F4N2O
Molecular Weight258.26 g/mol
Exact Mass258.14
IUPAC Name2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine
SMILESCC(C)C1CNC(OCC(F)(F)C(F)F)CN1
InChIInChI=1S/C10H18F4N2O/c1-6(2)7-3-16-8(4-15-7)17-5-10(13,14)9(11)12/h6-9,15-16H,3-5H2,1-2H3
InChIKeyLCPFMODIAWQZTA-UHFFFAOYSA-N
XLogP1.45
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 123233577
4-(1,3-difluoropropan-2-yl)-N-methylmorpholin-2-amine
CID 152449269
2-Tert-butyl-5-(2-fluoroethoxy)piperazine
CID 154601169
2-Tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine
CID 154601191
2-Tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine
CID 154601206
2-Tert-butyl-5-(4-fluorobut-2-ynoxy)piperazine
CID 154601214
2-Tert-butyl-5-(2,2-difluoroethoxy)piperazine
CID 154601250
2-Tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine
CID 154601254
5-Tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine
CID 155003866
4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 160816876
1-N,1-N,3-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,2-diamine
CID 54962069
2-[4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazin-1-yl]butan-1-amine
CID 55201211

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine?
The IUPAC name of 2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine (CID 155003766) is 2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine.
What is the SMILES notation for 2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine?
The canonical SMILES for 2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine is CC(C)C1CNC(OCC(F)(F)C(F)F)CN1.
What is the InChIKey of 2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine?
The InChIKey is LCPFMODIAWQZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4N2O/c1-6(2)7-3-16-8(4-15-7)17-5-10(13,14)9(11)12/h6-9,15-16H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine?
2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine has a molecular weight of 258.26 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)piperazine is sourced from PubChem (CID 155003766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).