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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Related Compounds

2-(4,6-Difluorocyclohexa-1,3-dien-1-yl)piperazine
CID 69965134
(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 70281446
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
2-(2,5-Difluorohexa-2,4-dien-3-yl)piperidine
CID 123481461
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
3-N-piperidin-4-yl-5-(trifluoromethyl)cyclohexa-1,5-diene-1,3-diamine
CID 134408941
(3S,4R)-3-fluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine
CID 137547838
1-[(2E,4E)-5-fluoro-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-2-methylhepta-2,4,6-trienyl]piperazine
CID 143127950
2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine
CID 143269798
1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine
CID 143280108
1-[4-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 143838520
N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]piperidin-3-amine
CID 144319506

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).