(3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine

C11H13F3N2 — CID 125499820

IUPAC(3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN[C@H](C(F)F)C2)cc1
InChIInChI=1S/C11H13F3N2/c12-8-1-3-9(4-2-8)16-6-5-15-10(7-16)11(13)14/h1-4,10-11,15H,5-7H2/t10-/m0/s1
InChIKeyNMZXIRHIUUPQDR-JTQLQIEISA-N
MW230.23 g/mol
LogP1.87
Rot. Bonds2

About (3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine

(3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine (PubChem CID 125499820) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is (3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name(3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine
PubChem CID125499820
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name(3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN[C@H](C(F)F)C2)cc1
InChIInChI=1S/C11H13F3N2/c12-8-1-3-9(4-2-8)16-6-5-15-10(7-16)11(13)14/h1-4,10-11,15H,5-7H2/t10-/m0/s1
InChIKeyNMZXIRHIUUPQDR-JTQLQIEISA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 64925755
2-(difluoromethyl)-4-(4-fluorophenyl)-1-methylpiperazine
CID 90268032
1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine
CID 64925028
1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine
CID 64924670
N,N-diethyl-4-(3-propan-2-ylpiperazin-1-yl)aniline
CID 64953597
3-(difluoromethyl)piperazin-1-amine
CID 137489573
3-cyclopropyl-1-(4-fluorophenyl)-1,4-diazepane
CID 64945264
3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
CID 80505348
3-[1-(6-fluoro-3,4-dihydro-1H-isochromen-1-yl)ethyl]-1-(4-methoxyphenyl)piperazine
CID 67554574
2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine
CID 144656729
1-(4-methylphenyl)-3-propan-2-yl-1,4-diazepane
CID 64943324
N-cyclobutyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086727

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine?
The IUPAC name of (3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine (CID 125499820) is (3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine.
What is the SMILES notation for (3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine?
The canonical SMILES for (3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine is Fc1ccc(N2CCN[C@H](C(F)F)C2)cc1.
What is the InChIKey of (3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine?
The InChIKey is NMZXIRHIUUPQDR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13F3N2/c12-8-1-3-9(4-2-8)16-6-5-15-10(7-16)11(13)14/h1-4,10-11,15H,5-7H2/t10-/m0/s1.
What are the key properties of (3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine?
(3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine has a molecular weight of 230.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine is sourced from PubChem (CID 125499820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).