1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene

C14H12F4O — CID 67799335

IUPAC1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene
SMILESCC1(OC(F)(F)F)C=CC(c2ccccc2F)=CC1
InChIInChI=1S/C14H12F4O/c1-13(19-14(16,17)18)8-6-10(7-9-13)11-4-2-3-5-12(11)15/h2-8H,9H2,1H3
InChIKeyNTTZDFCPPZZYAF-UHFFFAOYSA-N
MW272.24 g/mol
LogP4.46
Rot. Bonds2

About 1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene

1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene (PubChem CID 67799335) has the molecular formula C14H12F4O and a molecular weight of 272.24 g/mol. Its IUPAC name is 1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene
PubChem CID67799335
Molecular FormulaC14H12F4O
Molecular Weight272.24 g/mol
Exact Mass272.08
IUPAC Name1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene
SMILESCC1(OC(F)(F)F)C=CC(c2ccccc2F)=CC1
InChIInChI=1S/C14H12F4O/c1-13(19-14(16,17)18)8-6-10(7-9-13)11-4-2-3-5-12(11)15/h2-8H,9H2,1H3
InChIKeyNTTZDFCPPZZYAF-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-butyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]-2-fluorobenzene
CID 67799089
4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol
CID 174312893
4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol
CID 70274115
1-[4-chloro-4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,5-dien-1-yl]-2-fluorobenzene
CID 174383319
1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene
CID 175266507
4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol
CID 175024223
1-fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492710
4-(1-butyl-4-phenylcyclohexa-2,4-dien-1-yl)-2-fluoro-1-(trifluoromethoxy)benzene
CID 174275169
1-(1-ethyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-(trifluoromethoxy)benzene
CID 67763299
1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)-4-(trifluoromethoxy)benzene
CID 67763525
1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene
CID 70140238
N-[4-(2-fluorophenyl)-1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-yl]-6-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 175200742

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene?
The IUPAC name of 1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene (CID 67799335) is 1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene.
What is the SMILES notation for 1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene?
The canonical SMILES for 1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene is CC1(OC(F)(F)F)C=CC(c2ccccc2F)=CC1.
What is the InChIKey of 1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene?
The InChIKey is NTTZDFCPPZZYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4O/c1-13(19-14(16,17)18)8-6-10(7-9-13)11-4-2-3-5-12(11)15/h2-8H,9H2,1H3.
What are the key properties of 1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene?
1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene has a molecular weight of 272.24 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene is sourced from PubChem (CID 67799335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).