2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine

C10H14F2N2 — CID 118312470

IUPAC2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine
SMILESFC1=CC=C(C2CNCCN2)[C@@H](F)C1
InChIInChI=1S/C10H14F2N2/c11-7-1-2-8(9(12)5-7)10-6-13-3-4-14-10/h1-2,9-10,13-14H,3-6H2/t9-,10?/m0/s1
InChIKeyRCHDPOZIELIDJS-RGURZIINSA-N
MW200.23 g/mol
LogP1.07
Rot. Bonds1

About 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine

2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine (PubChem CID 118312470) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine.

Molecular Properties

Compound Name2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine
PubChem CID118312470
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine
SMILESFC1=CC=C(C2CNCCN2)[C@@H](F)C1
InChIInChI=1S/C10H14F2N2/c11-7-1-2-8(9(12)5-7)10-6-13-3-4-14-10/h1-2,9-10,13-14H,3-6H2/t9-,10?/m0/s1
InChIKeyRCHDPOZIELIDJS-RGURZIINSA-N
XLogP1.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine?
The IUPAC name of 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine (CID 118312470) is 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine.
What is the SMILES notation for 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine?
The canonical SMILES for 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine is FC1=CC=C(C2CNCCN2)[C@@H](F)C1.
What is the InChIKey of 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine?
The InChIKey is RCHDPOZIELIDJS-RGURZIINSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-7-1-2-8(9(12)5-7)10-6-13-3-4-14-10/h1-2,9-10,13-14H,3-6H2/t9-,10?/m0/s1.
What are the key properties of 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine?
2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine has a molecular weight of 200.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine is sourced from PubChem (CID 118312470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).