1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine

C14H13F9N2 — CID 171284042

IUPAC1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine
SMILESFc1cc(C(F)(F)F)cc(C(F)(F)F)c1[C@H](C(F)F)N1CCNCC1
InChIInChI=1S/C14H13F9N2/c15-9-6-7(13(18,19)20)5-8(14(21,22)23)10(9)11(12(16)17)25-3-1-24-2-4-25/h5-6,11-12,24H,1-4H2/t11-/m1/s1
InChIKeyASVYMCLOYJQDFE-LLVKDONJSA-N
MW380.25 g/mol
LogP4.07
Rot. Bonds3

About 1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine

1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine (PubChem CID 171284042) has the molecular formula C14H13F9N2 and a molecular weight of 380.25 g/mol. Its IUPAC name is 1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine
PubChem CID171284042
Molecular FormulaC14H13F9N2
Molecular Weight380.25 g/mol
Exact Mass380.09
IUPAC Name1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine
SMILESFc1cc(C(F)(F)F)cc(C(F)(F)F)c1[C@H](C(F)F)N1CCNCC1
InChIInChI=1S/C14H13F9N2/c15-9-6-7(13(18,19)20)5-8(14(21,22)23)10(9)11(12(16)17)25-3-1-24-2-4-25/h5-6,11-12,24H,1-4H2/t11-/m1/s1
InChIKeyASVYMCLOYJQDFE-LLVKDONJSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171304931
1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171284041
1-[(1S)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine
CID 171181492
1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171178106
1-[(1R)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171311313
1-[(1R)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]butyl]piperazine;dihydrochloride
CID 171296676
1-[(1S)-2,2-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171291681
(4S)-4-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol
CID 171174858
1-[(1S)-2-cyclopropyl-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171167831
1-[(R)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-(furan-2-yl)methyl]piperazine
CID 171181512
1-[(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-(furan-2-yl)methyl]piperazine
CID 171178115
1-[(R)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171284051

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine (CID 171284042) is 1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine is Fc1cc(C(F)(F)F)cc(C(F)(F)F)c1[C@H](C(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine?
The InChIKey is ASVYMCLOYJQDFE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H13F9N2/c15-9-6-7(13(18,19)20)5-8(14(21,22)23)10(9)11(12(16)17)25-3-1-24-2-4-25/h5-6,11-12,24H,1-4H2/t11-/m1/s1.
What are the key properties of 1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine?
1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine has a molecular weight of 380.25 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 171284042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).