ethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene

C11H12F4 — CID 142143146

IUPACethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene
SMILESCC.CC1=CC(C(F)(F)F)=CC=C=C1F
InChIInChI=1S/C9H6F4.C2H6/c1-6-5-7(9(11,12)13)3-2-4-8(6)10;1-2/h2-3,5H,1H3;1-2H3
InChIKeyPVOAYOLLDDYOJB-UHFFFAOYSA-N
MW220.21 g/mol
LogP4.47
Rot. Bonds

About ethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene

ethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene (PubChem CID 142143146) has the molecular formula C11H12F4 and a molecular weight of 220.21 g/mol. Its IUPAC name is ethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Nameethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene
PubChem CID142143146
Molecular FormulaC11H12F4
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Nameethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene
SMILESCC.CC1=CC(C(F)(F)F)=CC=C=C1F
InChIInChI=1S/C9H6F4.C2H6/c1-6-5-7(9(11,12)13)3-2-4-8(6)10;1-2/h2-3,5H,1H3;1-2H3
InChIKeyPVOAYOLLDDYOJB-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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4-Methyl-2-trifluoromethylpentadiene
CID 90166011
1-Methyl-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 19892255
(2E,4E)-1,1,1-trifluoro-2,3,4-trimethylhexa-2,4-diene
CID 20607797
2-Methyl-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21612766
3-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-1-methylcyclohexa-1,3-diene
CID 21899894
Carbanide;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+)
CID 22676436
1,1-Difluoro-4-(trifluoromethyl)hex-3-ene
CID 53890835
1,1,1-Trifluoro-3-(trifluoromethyl)hex-3-ene
CID 54403839
7,7-Difluoro-4-methylhepta-1,2,4-triene
CID 57033913
7-Fluoro-4-methylhepta-1,2,4-triene
CID 57085200

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene?
The IUPAC name of ethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene (CID 142143146) is ethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for ethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene?
The canonical SMILES for ethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene is CC.CC1=CC(C(F)(F)F)=CC=C=C1F.
What is the InChIKey of ethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene?
The InChIKey is PVOAYOLLDDYOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4.C2H6/c1-6-5-7(9(11,12)13)3-2-4-8(6)10;1-2/h2-3,5H,1H3;1-2H3.
What are the key properties of ethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene?
ethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene has a molecular weight of 220.21 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-7-methyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 142143146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).