3,3,3-trifluoroprop-1-en-2-ylcyclobutane

C7H9F3 — CID 143993602

IUPAC3,3,3-trifluoroprop-1-en-2-ylcyclobutane
SMILESC=C(C1CCC1)C(F)(F)F
InChIInChI=1S/C7H9F3/c1-5(7(8,9)10)6-3-2-4-6/h6H,1-4H2
InChIKeyWWMFBDDKABHGGC-UHFFFAOYSA-N
MW150.14 g/mol
LogP2.90
Rot. Bonds1

About 3,3,3-trifluoroprop-1-en-2-ylcyclobutane

3,3,3-trifluoroprop-1-en-2-ylcyclobutane (PubChem CID 143993602) has the molecular formula C7H9F3 and a molecular weight of 150.14 g/mol. Its IUPAC name is 3,3,3-trifluoroprop-1-en-2-ylcyclobutane.

Molecular Properties

Compound Name3,3,3-trifluoroprop-1-en-2-ylcyclobutane
PubChem CID143993602
Molecular FormulaC7H9F3
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name3,3,3-trifluoroprop-1-en-2-ylcyclobutane
SMILESC=C(C1CCC1)C(F)(F)F
InChIInChI=1S/C7H9F3/c1-5(7(8,9)10)6-3-2-4-6/h6H,1-4H2
InChIKeyWWMFBDDKABHGGC-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 52.90
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-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone
CID 126758452
[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine
CID 145286988
trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol
CID 101388261
1-cyclopentyl-2,2,2-trifluoroethanone
CID 15002815
1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclopentane
CID 58999460
3-cyclobutyl-4,4,4-trifluoro-2-methylbut-2-enoic acid
CID 68982342
(2-cyclohexyl-3-methylpent-1-en-3-yl)silane
CID 173389713
N-(1-cyclohexylethenyl)methanimine
CID 123927347
N-cyclohexyl-2,2,2-trifluoro-N-hydroxyacetamide
CID 10262560
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one
CID 171938074
1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
CID 155072526
N-cyclopentyl-2,2,2-trifluoro-N-methylacetamide
CID 63374781

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoroprop-1-en-2-ylcyclobutane?
The IUPAC name of 3,3,3-trifluoroprop-1-en-2-ylcyclobutane (CID 143993602) is 3,3,3-trifluoroprop-1-en-2-ylcyclobutane.
What is the SMILES notation for 3,3,3-trifluoroprop-1-en-2-ylcyclobutane?
The canonical SMILES for 3,3,3-trifluoroprop-1-en-2-ylcyclobutane is C=C(C1CCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoroprop-1-en-2-ylcyclobutane?
The InChIKey is WWMFBDDKABHGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3/c1-5(7(8,9)10)6-3-2-4-6/h6H,1-4H2.
What are the key properties of 3,3,3-trifluoroprop-1-en-2-ylcyclobutane?
3,3,3-trifluoroprop-1-en-2-ylcyclobutane has a molecular weight of 150.14 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoroprop-1-en-2-ylcyclobutane is sourced from PubChem (CID 143993602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).