1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine

C12H14ClF3N2 — CID 171279993

IUPAC1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine
SMILESFc1c(Cl)cccc1[C@H](C(F)F)N1CCNCC1
InChIInChI=1S/C12H14ClF3N2/c13-9-3-1-2-8(10(9)14)11(12(15)16)18-6-4-17-5-7-18/h1-3,11-12,17H,4-7H2/t11-/m1/s1
InChIKeyVIDXONVBVKQFEE-LLVKDONJSA-N
MW278.70 g/mol
LogP2.69
Rot. Bonds3

About 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine

1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine (PubChem CID 171279993) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine
PubChem CID171279993
Molecular FormulaC12H14ClF3N2
Molecular Weight278.70 g/mol
Exact Mass278.08
IUPAC Name1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine
SMILESFc1c(Cl)cccc1[C@H](C(F)F)N1CCNCC1
InChIInChI=1S/C12H14ClF3N2/c13-9-3-1-2-8(10(9)14)11(12(15)16)18-6-4-17-5-7-18/h1-3,11-12,17H,4-7H2/t11-/m1/s1
InChIKeyVIDXONVBVKQFEE-LLVKDONJSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine
CID 171292615
1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171279994
1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2,2-difluoroethyl]piperazine
CID 171279941
2-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-6-fluorophenol
CID 171273073
1-[(1S)-1-(3-chloro-2,6-difluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171292460
1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171180423
(3S)-3-(3-chloro-2-fluorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306208
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171276068
1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171291204
1-[(1S)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2,2-difluoroethyl]piperazine
CID 171292589
1-[(1S)-1-(3-chloro-2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171309330
1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine
CID 82481656

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine (CID 171279993) is 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine is Fc1c(Cl)cccc1[C@H](C(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine?
The InChIKey is VIDXONVBVKQFEE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c13-9-3-1-2-8(10(9)14)11(12(15)16)18-6-4-17-5-7-18/h1-3,11-12,17H,4-7H2/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine?
1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine has a molecular weight of 278.70 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine is sourced from PubChem (CID 171279993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).