2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane

C10H15F3 — CID 142342059

IUPAC2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane
SMILESCC.CC1=CC(C(F)F)=C(F)CC1
InChIInChI=1S/C8H9F3.C2H6/c1-5-2-3-7(9)6(4-5)8(10)11;1-2/h4,8H,2-3H2,1H3;1-2H3
InChIKeyDVMYKEAGFAHTKZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP4.24
Rot. Bonds1

About 2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane

2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane (PubChem CID 142342059) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane.

Molecular Properties

Compound Name2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane
PubChem CID142342059
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane
SMILESCC.CC1=CC(C(F)F)=C(F)CC1
InChIInChI=1S/C8H9F3.C2H6/c1-5-2-3-7(9)6(4-5)8(10)11;1-2/h4,8H,2-3H2,1H3;1-2H3
InChIKeyDVMYKEAGFAHTKZ-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide
CID 143601210
ethane;3-fluoro-1-methylcyclohexa-1,3-diene
CID 144598222
3-methylcyclopent-2-en-1-one
CID 162114643
ethane;2-fluoro-1-[3-fluoro-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-methylcyclohexa-1,3-diene
CID 153354240
4-methylcyclohex-3-ene-1,2-diimine
CID 143507678
ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene
CID 144672111
3-fluoro-1-methylcyclohepta-1,3-diene
CID 143151930
5-fluoro-3-methyl-1,2-dihydronaphthalene
CID 146233023
2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 143584867
1-methyl-3-propan-2-ylidenecyclopentene
CID 150029885
1-fluoro-2-propan-2-ylcyclohexa-1,3-diene
CID 130368204
ethane;3-methylcyclopent-2-en-1-one;propane-2,2-diol
CID 155705455

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane?
The IUPAC name of 2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane (CID 142342059) is 2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane.
What is the SMILES notation for 2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane?
The canonical SMILES for 2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane is CC.CC1=CC(C(F)F)=C(F)CC1.
What is the InChIKey of 2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane?
The InChIKey is DVMYKEAGFAHTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3.C2H6/c1-5-2-3-7(9)6(4-5)8(10)11;1-2/h4,8H,2-3H2,1H3;1-2H3.
What are the key properties of 2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane?
2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane has a molecular weight of 192.22 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane is sourced from PubChem (CID 142342059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).