3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene

C6H3F7 — CID 87084397

IUPAC3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene
SMILESCC1(F)C(C(F)(F)F)=C1C(F)(F)F
InChIInChI=1S/C6H3F7/c1-4(7)2(5(8,9)10)3(4)6(11,12)13/h1H3
InChIKeyRCIJJFQYMPKPSV-UHFFFAOYSA-N
MW208.08 g/mol
LogP3.15
Rot. Bonds

About 3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene

3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene (PubChem CID 87084397) has the molecular formula C6H3F7 and a molecular weight of 208.08 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene.

Molecular Properties

Compound Name3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene
PubChem CID87084397
Molecular FormulaC6H3F7
Molecular Weight208.08 g/mol
Exact Mass208.01
IUPAC Name3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene
SMILESCC1(F)C(C(F)(F)F)=C1C(F)(F)F
InChIInChI=1S/C6H3F7/c1-4(7)2(5(8,9)10)3(4)6(11,12)13/h1H3
InChIKeyRCIJJFQYMPKPSV-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.08
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene?
The IUPAC name of 3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene (CID 87084397) is 3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene.
What is the SMILES notation for 3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene?
The canonical SMILES for 3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene is CC1(F)C(C(F)(F)F)=C1C(F)(F)F.
What is the InChIKey of 3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene?
The InChIKey is RCIJJFQYMPKPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7/c1-4(7)2(5(8,9)10)3(4)6(11,12)13/h1H3.
What are the key properties of 3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene?
3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene has a molecular weight of 208.08 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1,2-bis(trifluoromethyl)cyclopropene is sourced from PubChem (CID 87084397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).