(6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene

C6H4F4 — CID 155000957

IUPAC(6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene
SMILESFC1=CC=C(F)[C@@H](F)C1F
InChIInChI=1S/C6H4F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2,5-6H/t5-,6?/m1/s1
InChIKeyMXLDFPZNHKBEGU-LWOQYNTDSA-N
MW152.09 g/mol
LogP2.38
Rot. Bonds

About (6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene

(6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene (PubChem CID 155000957) has the molecular formula C6H4F4 and a molecular weight of 152.09 g/mol. Its IUPAC name is (6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name(6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene
PubChem CID155000957
Molecular FormulaC6H4F4
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Name(6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene
SMILESFC1=CC=C(F)[C@@H](F)C1F
InChIInChI=1S/C6H4F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2,5-6H/t5-,6?/m1/s1
InChIKeyMXLDFPZNHKBEGU-LWOQYNTDSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,5,6,6-Tetrafluoro-1,3-cyclohexadiene
CID 12676459
5-Fluorocyclohexa-1,3-diene
CID 13594374
Trifluorocyclohexadiene
CID 19695671
1-Fluorocyclohexa-1,3-diene
CID 21439206
1,2,3,4-Tetra-fluoro-1,3-cyclo-hexadiene
CID 21932547
Difluorocyclohexadiene
CID 22020522
5-Fluoro-fluorocyclohexadiene
CID 22076024
1,2,3,4-Tetrafluorocyclohexa-1,4-diene
CID 90962434
4,5,6,6,6-Pentafluoro-1,3-hexadiene
CID 85672278
2,5,5,6,6-Pentafluoro-1,3-cyclohexadiene
CID 101924370
2-Tri-fluoromethyl-5,6,6-trifluoro-1,3-cyclohexadiene
CID 129690488
5,5-Diflouro-1,3-cyclohexadiene
CID 15178912

Frequently Asked Questions

What is the IUPAC name of (6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene?
The IUPAC name of (6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene (CID 155000957) is (6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene.
What is the SMILES notation for (6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene?
The canonical SMILES for (6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene is FC1=CC=C(F)[C@@H](F)C1F.
What is the InChIKey of (6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene?
The InChIKey is MXLDFPZNHKBEGU-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H4F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2,5-6H/t5-,6?/m1/s1.
What are the key properties of (6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene?
(6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene has a molecular weight of 152.09 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene is sourced from PubChem (CID 155000957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).