difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine

C16H23F5N2O — CID 143095458

IUPACdifluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine
SMILESCc1cc(C(F)(F)F)c(C)cc1OCCN1CCNCC1.FCF
InChIInChI=1S/C15H21F3N2O.CH2F2/c1-11-10-14(12(2)9-13(11)15(16,17)18)21-8-7-20-5-3-19-4-6-20;2-1-3/h9-10,19H,3-8H2,1-2H3;1H2
InChIKeyPVPCGQMWMYXJSG-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.49
Rot. Bonds4

About difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine

difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine (PubChem CID 143095458) has the molecular formula C16H23F5N2O and a molecular weight of 354.36 g/mol. Its IUPAC name is difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine.

Molecular Properties

Compound Namedifluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine
PubChem CID143095458
Molecular FormulaC16H23F5N2O
Molecular Weight354.36 g/mol
Exact Mass354.17
IUPAC Namedifluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine
SMILESCc1cc(C(F)(F)F)c(C)cc1OCCN1CCNCC1.FCF
InChIInChI=1S/C15H21F3N2O.CH2F2/c1-11-10-14(12(2)9-13(11)15(16,17)18)21-8-7-20-5-3-19-4-6-20;2-1-3/h9-10,19H,3-8H2,1-2H3;1H2
InChIKeyPVPCGQMWMYXJSG-UHFFFAOYSA-N
XLogP3.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine
CID 114276739
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-methyl-3-(2-piperazin-1-ylethoxy)phenyl]urea
CID 57403402
1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine
CID 83940966
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole
CID 58646073
1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine
CID 5223642
1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690
1-[2-(2,3-difluorophenoxy)ethyl]piperazine
CID 63037635
4-[2-[2-(1,4-diazepan-1-yl)ethoxy]ethoxy]-2,3,6-trimethylphenol
CID 10853299
1-[6-(2-tert-butylphenoxy)hexyl]piperazine
CID 3399314
1-[2-(2,4-difluorophenoxy)ethyl]-1,4-diazepane
CID 82088956

Frequently Asked Questions

What is the IUPAC name of difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine?
The IUPAC name of difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine (CID 143095458) is difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine.
What is the SMILES notation for difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine?
The canonical SMILES for difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine is Cc1cc(C(F)(F)F)c(C)cc1OCCN1CCNCC1.FCF.
What is the InChIKey of difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine?
The InChIKey is PVPCGQMWMYXJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O.CH2F2/c1-11-10-14(12(2)9-13(11)15(16,17)18)21-8-7-20-5-3-19-4-6-20;2-1-3/h9-10,19H,3-8H2,1-2H3;1H2.
What are the key properties of difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine?
difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine has a molecular weight of 354.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine is sourced from PubChem (CID 143095458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).