1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine

C11H21F3N2 — CID 171308963

IUPAC1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine
SMILESCCCCC[C@H](N1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-2-3-4-5-10(11(12,13)14)16-8-6-15-7-9-16/h10,15H,2-9H2,1H3/t10-/m0/s1
InChIKeyOCROICSKFVSGLH-JTQLQIEISA-N
MW238.30 g/mol
LogP2.40
Rot. Bonds5

About 1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine

1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine (PubChem CID 171308963) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine.

Molecular Properties

Compound Name1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine
PubChem CID171308963
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine
SMILESCCCCC[C@H](N1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-2-3-4-5-10(11(12,13)14)16-8-6-15-7-9-16/h10,15H,2-9H2,1H3/t10-/m0/s1
InChIKeyOCROICSKFVSGLH-JTQLQIEISA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride
CID 171276178
1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride
CID 171302579
1-heptan-2-ylpiperazine
CID 61464712
1-[(1R)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171168374
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride
CID 120778775
1-[(1S)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308640
1-octan-2-yl-1,4-diazepane
CID 61057071
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]hexyl]piperazine;dihydrochloride
CID 171309260
1-(2,2-dimethylundecan-3-yl)pyrrolidine
CID 150582277
1-imidazolidin-1-ylhexadecan-1-amine
CID 174368135
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171170520
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine
CID 171171240

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine?
The IUPAC name of 1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine (CID 171308963) is 1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine.
What is the SMILES notation for 1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine?
The canonical SMILES for 1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine is CCCCC[C@H](N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine?
The InChIKey is OCROICSKFVSGLH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21F3N2/c1-2-3-4-5-10(11(12,13)14)16-8-6-15-7-9-16/h10,15H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine?
1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine has a molecular weight of 238.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine is sourced from PubChem (CID 171308963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).