1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene

C7H6F6 — CID 585504

IUPAC1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene
SMILESCC1=C(C(F)(F)F)C1(C)C(F)(F)F
InChIInChI=1S/C7H6F6/c1-3-4(6(8,9)10)5(3,2)7(11,12)13/h1-2H3
InChIKeyAKXOAYDRRKXDIM-UHFFFAOYSA-N
MW204.11 g/mol
LogP3.45
Rot. Bonds

About 1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene

1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene (PubChem CID 585504) has the molecular formula C7H6F6 and a molecular weight of 204.11 g/mol. Its IUPAC name is 1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene.

Molecular Properties

Compound Name1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene
PubChem CID585504
Molecular FormulaC7H6F6
Molecular Weight204.11 g/mol
Exact Mass204.04
IUPAC Name1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene
SMILESCC1=C(C(F)(F)F)C1(C)C(F)(F)F
InChIInChI=1S/C7H6F6/c1-3-4(6(8,9)10)5(3,2)7(11,12)13/h1-2H3
InChIKeyAKXOAYDRRKXDIM-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-Dimethyl-3,3-bis(trifluoromethyl)cyclopropene
CID 23233531
(Z)-2-Methyl-3-[1,1-bis(trifluoromethyl)ethyl]-4-(trifluoromethyl)-1,1,1,4,5,5,5-heptafluoro-2-pentene
CID 11305288
3-[1,1-Bis(trifluoromethyl)ethyl]-4,4-bis(trifluoromethyl)-1,1,1,2-tetrafluoro-2-pentene
CID 12076635
(E)-1,1,1,5,5,5-Hexafluoro-2,4-dimethyl-3-[1-(trifluoromethyl)-1,2,2,2-tetrafluoroethyl]-4-(trifluoromethyl)-2-pentene
CID 12078444
1,1,1,2,5,5,5-Heptafluoro-4,4-dimethyl-3-(trifluoromethyl)pent-2-ene
CID 59892543
3-Fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene
CID 66633253
1,1,1,5,5,5-Hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene
CID 72792185
1-(Difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene
CID 87084006
3-(Difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene
CID 87084173
3-Fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene
CID 87084260
3-Fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene
CID 87084397
(Z)-1,1,1,2-tetrafluoro-3,4,4-trimethylhex-2-ene
CID 167317182

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene?
The IUPAC name of 1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene (CID 585504) is 1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene.
What is the SMILES notation for 1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene?
The canonical SMILES for 1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene is CC1=C(C(F)(F)F)C1(C)C(F)(F)F.
What is the InChIKey of 1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene?
The InChIKey is AKXOAYDRRKXDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6/c1-3-4(6(8,9)10)5(3,2)7(11,12)13/h1-2H3.
What are the key properties of 1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene?
1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene has a molecular weight of 204.11 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropene is sourced from PubChem (CID 585504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).