5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene

C14H16F2S — CID 139914125

IUPAC5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene
SMILESFCC1(SC2(CF)C=CC=CC2)C=CC=CC1
InChIInChI=1S/C14H16F2S/c15-11-13(7-3-1-4-8-13)17-14(12-16)9-5-2-6-10-14/h1-7,9H,8,10-12H2
InChIKeyOQNUUZCISSHTKL-UHFFFAOYSA-N
MW254.35 g/mol
LogP4.17
Rot. Bonds4

About 5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene

5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene (PubChem CID 139914125) has the molecular formula C14H16F2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene
PubChem CID139914125
Molecular FormulaC14H16F2S
Molecular Weight254.35 g/mol
Exact Mass254.09
IUPAC Name5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene
SMILESFCC1(SC2(CF)C=CC=CC2)C=CC=CC1
InChIInChI=1S/C14H16F2S/c15-11-13(7-3-1-4-8-13)17-14(12-16)9-5-2-6-10-14/h1-7,9H,8,10-12H2
InChIKeyOQNUUZCISSHTKL-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-5-(2-methylbutan-2-ylsulfanyl)cyclohexa-1,3-diene
CID 68058112
6-Fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
CID 123972244
5-(4,5-Difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene
CID 141168975
1-(2-Methylbut-3-en-2-ylsulfanyl)-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 143964347
(2Z,4E)-5-buta-1,3-dien-2-ylsulfanyl-7-fluoro-7-methyl-6-methylideneocta-2,4-diene
CID 156057037
5-(Trifluoromethyl)-1,7-dihydrodibenzothiophen-5-ium
CID 163342340
5-Methyl-5-(1-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene
CID 139486745
5-Ethenyl-5-(1-ethenylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene
CID 141433777
2-Cyclohexa-1,3-dien-1-ylsulfanyl-5-methylcyclohexa-1,3-diene;ethane
CID 143650371
Ethane;2-(2-methylbutan-2-ylsulfanyl)cyclohexa-1,3-diene
CID 143964345
2-Cyclohexa-1,3-dien-1-ylsulfanyl-5-methylcyclohexa-1,3-diene
CID 143650372
2-(2-Methylbutan-2-ylsulfanyl)cyclohexa-1,3-diene
CID 143964346

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene?
The IUPAC name of 5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene (CID 139914125) is 5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene?
The canonical SMILES for 5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene is FCC1(SC2(CF)C=CC=CC2)C=CC=CC1.
What is the InChIKey of 5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene?
The InChIKey is OQNUUZCISSHTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2S/c15-11-13(7-3-1-4-8-13)17-14(12-16)9-5-2-6-10-14/h1-7,9H,8,10-12H2.
What are the key properties of 5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene?
5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene has a molecular weight of 254.35 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-5-[1-(fluoromethyl)cyclohexa-2,4-dien-1-yl]sulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 139914125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).