2,6-difluorocyclohexa-1,5-diene-1-thiol

C6H6F2S — CID 143945188

IUPAC2,6-difluorocyclohexa-1,5-diene-1-thiol
SMILESFC1=CCCC(F)=C1S
InChIInChI=1S/C6H6F2S/c7-4-2-1-3-5(8)6(4)9/h2,9H,1,3H2
InChIKeyHAIKCRXTPJORON-UHFFFAOYSA-N
MW148.18 g/mol
LogP2.74
Rot. Bonds

About 2,6-difluorocyclohexa-1,5-diene-1-thiol

2,6-difluorocyclohexa-1,5-diene-1-thiol (PubChem CID 143945188) has the molecular formula C6H6F2S and a molecular weight of 148.18 g/mol. Its IUPAC name is 2,6-difluorocyclohexa-1,5-diene-1-thiol.

Molecular Properties

Compound Name2,6-difluorocyclohexa-1,5-diene-1-thiol
PubChem CID143945188
Molecular FormulaC6H6F2S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name2,6-difluorocyclohexa-1,5-diene-1-thiol
SMILESFC1=CCCC(F)=C1S
InChIInChI=1S/C6H6F2S/c7-4-2-1-3-5(8)6(4)9/h2,9H,1,3H2
InChIKeyHAIKCRXTPJORON-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Trifluorocyclohexadiene
CID 19695671
2,3,4,5,6-Pentafluorocyclohexa-1,3-diene-1-thiol
CID 21260417
2,3-Difluorocyclohexa-1,3-diene
CID 21891360
1,3,4,6-Tetrafluorocyclohexa-3,5-diene-1,2-dithiol
CID 87901136
4-Fluorocyclohexa-1,3-diene-1-thiol
CID 89292763
6-Fluorocyclohexa-1,5-diene-1-thiol
CID 118057075
2-Fluorocyclohexa-1,5-diene-1-thiol
CID 143686686
(3,6-Difluorocyclohexa-1,5-dien-1-yl) thiohypochlorite
CID 144086895
6-(Trifluoromethyl)cyclohexa-1,5-diene-1-thiol
CID 144800511
1-Fluorocyclohexa-2,4-diene-1-thiol
CID 154434638
3-Fluorocyclohexa-1,3-diene-1-thiol
CID 156833045
4,4-Difluorocyclohexa-1,5-diene-1-thiol
CID 157648996

Frequently Asked Questions

What is the IUPAC name of 2,6-difluorocyclohexa-1,5-diene-1-thiol?
The IUPAC name of 2,6-difluorocyclohexa-1,5-diene-1-thiol (CID 143945188) is 2,6-difluorocyclohexa-1,5-diene-1-thiol.
What is the SMILES notation for 2,6-difluorocyclohexa-1,5-diene-1-thiol?
The canonical SMILES for 2,6-difluorocyclohexa-1,5-diene-1-thiol is FC1=CCCC(F)=C1S.
What is the InChIKey of 2,6-difluorocyclohexa-1,5-diene-1-thiol?
The InChIKey is HAIKCRXTPJORON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2S/c7-4-2-1-3-5(8)6(4)9/h2,9H,1,3H2.
What are the key properties of 2,6-difluorocyclohexa-1,5-diene-1-thiol?
2,6-difluorocyclohexa-1,5-diene-1-thiol has a molecular weight of 148.18 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluorocyclohexa-1,5-diene-1-thiol is sourced from PubChem (CID 143945188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).