3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene

C5H4F4 — CID 162541985

IUPAC3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene
SMILESFC1C=C1CC(F)(F)F
InChIInChI=1S/C5H4F4/c6-4-1-3(4)2-5(7,8)9/h1,4H,2H2
InChIKeyRZWSMKYFDDTHNZ-UHFFFAOYSA-N
MW140.08 g/mol
LogP2.22
Rot. Bonds1

About 3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene

3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene (PubChem CID 162541985) has the molecular formula C5H4F4 and a molecular weight of 140.08 g/mol. Its IUPAC name is 3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene.

Molecular Properties

Compound Name3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene
PubChem CID162541985
Molecular FormulaC5H4F4
Molecular Weight140.08 g/mol
Exact Mass140.02
IUPAC Name3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene
SMILESFC1C=C1CC(F)(F)F
InChIInChI=1S/C5H4F4/c6-4-1-3(4)2-5(7,8)9/h1,4H,2H2
InChIKeyRZWSMKYFDDTHNZ-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.08
LogP ≤ 52.22
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

Trifluoromethylcyclobutene
CID 18520913
3,3-Difluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclopropene
CID 21731909
3,3-Difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopropene
CID 21731910
1,1-Difluoro-2-[(E)-ethylidene]cyclopropane
CID 91691214
(E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene
CID 12578250
3,3,4,4-Tetrafluoro-1-methylcyclobut-1-ene
CID 13759154
2-Trifluoromethyl-1,1,1-trifluoro-2-pentene
CID 13843996
1,1,1,4,4-Pentafluoro-2-(trifluoromethyl)-2-pentene
CID 15489697
1,1,2,2-Tetrafluoro-3-(1-fluorobut-3-enylidene)cyclopropane
CID 17785616
1,1,2,2-Tetrafluoro-3-propylidenecyclopropane
CID 18960305
3-Ethylidene-1,1,2,2-tetrafluorocyclopropane
CID 21930575
6,6,6-Trifluoro-5-(trifluoromethyl)hexa-1,4-diene
CID 23554143

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene?
The IUPAC name of 3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene (CID 162541985) is 3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene.
What is the SMILES notation for 3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene?
The canonical SMILES for 3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene is FC1C=C1CC(F)(F)F.
What is the InChIKey of 3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene?
The InChIKey is RZWSMKYFDDTHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4/c6-4-1-3(4)2-5(7,8)9/h1,4H,2H2.
What are the key properties of 3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene?
3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene has a molecular weight of 140.08 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene is sourced from PubChem (CID 162541985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).