1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine

C16H20F4N2O — CID 171178149

IUPAC1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFc1ccc(OC(F)(F)F)cc1[C@@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C16H20F4N2O/c17-14-5-4-12(23-16(18,19)20)10-13(14)15(11-2-1-3-11)22-8-6-21-7-9-22/h4-5,10-11,15,21H,1-3,6-9H2/t15-/m1/s1
InChIKeyUYHZYSVTUJAHGP-OAHLLOKOSA-N
MW332.34 g/mol
LogP3.47
Rot. Bonds4

About 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine

1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171178149) has the molecular formula C16H20F4N2O and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID171178149
Molecular FormulaC16H20F4N2O
Molecular Weight332.34 g/mol
Exact Mass332.15
IUPAC Name1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFc1ccc(OC(F)(F)F)cc1[C@@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C16H20F4N2O/c17-14-5-4-12(23-16(18,19)20)10-13(14)15(11-2-1-3-11)22-8-6-21-7-9-22/h4-5,10-11,15,21H,1-3,6-9H2/t15-/m1/s1
InChIKeyUYHZYSVTUJAHGP-OAHLLOKOSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclopentyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171284101
1-[(R)-cyclopentyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296721
1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296719
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171284104
1-[(S)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 171180538
1-[(S)-cyclobutyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180074
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171292805
1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292751
1-[(R)-cyclobutyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296970
1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289675
1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171171221
1-[(S)-cyclobutyl-(2-fluoro-5-iodophenyl)methyl]piperazine;hydrochloride
CID 171181497

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine (CID 171178149) is 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine is Fc1ccc(OC(F)(F)F)cc1[C@@H](C1CCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is UYHZYSVTUJAHGP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20F4N2O/c17-14-5-4-12(23-16(18,19)20)10-13(14)15(11-2-1-3-11)22-8-6-21-7-9-22/h4-5,10-11,15,21H,1-3,6-9H2/t15-/m1/s1.
What are the key properties of 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine?
1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 332.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171178149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).