1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene

C13H12F2 — CID 175266507

IUPAC1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene
SMILESCc1ccccc1C1=CCC(F)(F)C=C1
InChIInChI=1S/C13H12F2/c1-10-4-2-3-5-12(10)11-6-8-13(14,15)9-7-11/h2-8H,9H2,1H3
InChIKeyFTSMKJFVCPSJKU-UHFFFAOYSA-N
MW206.23 g/mol
LogP3.97
Rot. Bonds1

About 1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene

1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene (PubChem CID 175266507) has the molecular formula C13H12F2 and a molecular weight of 206.23 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene
PubChem CID175266507
Molecular FormulaC13H12F2
Molecular Weight206.23 g/mol
Exact Mass206.09
IUPAC Name1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene
SMILESCc1ccccc1C1=CCC(F)(F)C=C1
InChIInChI=1S/C13H12F2/c1-10-4-2-3-5-12(10)11-6-8-13(14,15)9-7-11/h2-8H,9H2,1H3
InChIKeyFTSMKJFVCPSJKU-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
CID 142604826
2-(2-methylphenyl)cyclohepta-1,3-dien-5-yne
CID 163604977
4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol
CID 174312893
1-(4,4-diisocyanatocyclohexa-1,5-dien-1-yl)-2,3-dimethylbenzene
CID 174693498
4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride
CID 175393703
2-(4,4-diaminocyclohexa-1,5-dien-1-yl)phenol
CID 174821956
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol
CID 70274115
4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol
CID 175024223
(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol
CID 170991611
1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene
CID 88722468

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene?
The IUPAC name of 1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene (CID 175266507) is 1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene.
What is the SMILES notation for 1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene?
The canonical SMILES for 1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene is Cc1ccccc1C1=CCC(F)(F)C=C1.
What is the InChIKey of 1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene?
The InChIKey is FTSMKJFVCPSJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2/c1-10-4-2-3-5-12(10)11-6-8-13(14,15)9-7-11/h2-8H,9H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene?
1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene has a molecular weight of 206.23 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene is sourced from PubChem (CID 175266507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).