[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane

C8H9F5 — CID 58999459

IUPAC[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane
SMILESFC(F)=C(CC1CCC1)C(F)(F)F
InChIInChI=1S/C8H9F5/c9-7(10)6(8(11,12)13)4-5-2-1-3-5/h5H,1-4H2
InChIKeyMHAROWJAVTWGQI-UHFFFAOYSA-N
MW200.15 g/mol
LogP3.89
Rot. Bonds2

About [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane

[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane (PubChem CID 58999459) has the molecular formula C8H9F5 and a molecular weight of 200.15 g/mol. Its IUPAC name is [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane.

Molecular Properties

Compound Name[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane
PubChem CID58999459
Molecular FormulaC8H9F5
Molecular Weight200.15 g/mol
Exact Mass200.06
IUPAC Name[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane
SMILESFC(F)=C(CC1CCC1)C(F)(F)F
InChIInChI=1S/C8H9F5/c9-7(10)6(8(11,12)13)4-5-2-1-3-5/h5H,1-4H2
InChIKeyMHAROWJAVTWGQI-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,3,3,3-Pentafluoroprop-1-en-2-ylcyclobutane
CID 58981550
1,1,3,3,3-Pentafluoroprop-1-en-2-ylcyclopentane
CID 58999460
1,1-Difluoro-3-(2-methylprop-2-enyl)cyclobutane
CID 156038872
1-(Difluoromethylidene)-3-propan-2-ylcyclobutane
CID 167273021
1-(1,1-Difluoroethyl)-3-prop-1-en-2-ylcyclobutane
CID 176994663
7,7,7-Trifluoro-2,4-bis(trifluoromethyl)-1-heptene
CID 13902847
3-(1,1-Difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene
CID 15489698
1,1,2,2-Tetrafluoro-3-methylidene-4-(2,2,3,3,3-pentafluoropropyl)cyclobutane
CID 21731900
1,1-Difluoro-2,3-bis(trifluoromethyl)hex-1-ene
CID 162536512

Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane?
The IUPAC name of [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane (CID 58999459) is [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane.
What is the SMILES notation for [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane?
The canonical SMILES for [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane is FC(F)=C(CC1CCC1)C(F)(F)F.
What is the InChIKey of [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane?
The InChIKey is MHAROWJAVTWGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5/c9-7(10)6(8(11,12)13)4-5-2-1-3-5/h5H,1-4H2.
What are the key properties of [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane?
[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane has a molecular weight of 200.15 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane is sourced from PubChem (CID 58999459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).