1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine

C14H15ClF6N2 — CID 171177046

IUPAC1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine
SMILESFc1c(Cl)cc(C(F)(F)F)cc1[C@@H](CC(F)F)N1CCNCC1
InChIInChI=1S/C14H15ClF6N2/c15-10-6-8(14(19,20)21)5-9(13(10)18)11(7-12(16)17)23-3-1-22-2-4-23/h5-6,11-12,22H,1-4,7H2/t11-/m1/s1
InChIKeyMAJCUEKQQKNAPD-LLVKDONJSA-N
MW360.73 g/mol
LogP4.10
Rot. Bonds4

About 1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine

1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine (PubChem CID 171177046) has the molecular formula C14H15ClF6N2 and a molecular weight of 360.73 g/mol. Its IUPAC name is 1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine
PubChem CID171177046
Molecular FormulaC14H15ClF6N2
Molecular Weight360.73 g/mol
Exact Mass360.08
IUPAC Name1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine
SMILESFc1c(Cl)cc(C(F)(F)F)cc1[C@@H](CC(F)F)N1CCNCC1
InChIInChI=1S/C14H15ClF6N2/c15-10-6-8(14(19,20)21)5-9(13(10)18)11(7-12(16)17)23-3-1-22-2-4-23/h5-6,11-12,22H,1-4,7H2/t11-/m1/s1
InChIKeyMAJCUEKQQKNAPD-LLVKDONJSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.73
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine
CID 171182017
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171292565
(2R)-2-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol
CID 171174689
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302886
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride
CID 171279938
(3S)-3-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171174691
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177157
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]pent-4-enyl]piperazine
CID 171279959
1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2,2-difluoroethyl]piperazine
CID 171279941
1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine
CID 171292567
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171279937
1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine
CID 171171472

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine?
The IUPAC name of 1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine (CID 171177046) is 1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine is Fc1c(Cl)cc(C(F)(F)F)cc1[C@@H](CC(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine?
The InChIKey is MAJCUEKQQKNAPD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15ClF6N2/c15-10-6-8(14(19,20)21)5-9(13(10)18)11(7-12(16)17)23-3-1-22-2-4-23/h5-6,11-12,22H,1-4,7H2/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine?
1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine has a molecular weight of 360.73 g/mol, XLogP of 4.10, 4 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-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine is sourced from PubChem (CID 171177046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).