1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane

C8H9F7 — CID 161002972

IUPAC1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane
SMILESCC(C)=CF.FC1(F)CC(F)(F)C1(F)F
InChIInChI=1S/C4H2F6.C4H7F/c5-2(6)1-3(7,8)4(2,9)10;1-4(2)3-5/h1H2;3H,1-2H3
InChIKeyTWCYQUNIDUTHES-UHFFFAOYSA-N
MW238.15 g/mol
LogP4.18
Rot. Bonds

About 1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane

1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane (PubChem CID 161002972) has the molecular formula C8H9F7 and a molecular weight of 238.15 g/mol. Its IUPAC name is 1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane.

Molecular Properties

Compound Name1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane
PubChem CID161002972
Molecular FormulaC8H9F7
Molecular Weight238.15 g/mol
Exact Mass238.06
IUPAC Name1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane
SMILESCC(C)=CF.FC1(F)CC(F)(F)C1(F)F
InChIInChI=1S/C4H2F6.C4H7F/c5-2(6)1-3(7,8)4(2,9)10;1-4(2)3-5/h1H2;3H,1-2H3
InChIKeyTWCYQUNIDUTHES-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2-methylprop-1-ene;silane
CID 159257141
1,1,2,2,3,3-hexafluorocyclobutane;1,1,2,2,3,3,4,4,5-nonafluorocyclopentane
CID 160699918
(E)-1-fluoroprop-1-en-2-ol
CID 142873409
N-(3,3-difluorocyclobutyl)-3-methylbut-2-enamide
CID 126994062
3-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)but-2-en-1-one
CID 130624471
methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate
CID 167715905
[(1S)-2,2-difluoro-1-methylcyclopropyl]methanol
CID 92980110
bis(2,2-difluoro-1-methylcyclopropyl)methanone
CID 19098833
(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl 2,2-dimethylbutanoate
CID 118595030
4-[(Z)-1-fluoroprop-1-en-2-yl]piperidine
CID 174359173
3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine
CID 112563988
1-(3-acetyl-1-bicyclo[1.1.1]pentanyl)ethanone
CID 11159413

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane?
The IUPAC name of 1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane (CID 161002972) is 1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane.
What is the SMILES notation for 1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane?
The canonical SMILES for 1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane is CC(C)=CF.FC1(F)CC(F)(F)C1(F)F.
What is the InChIKey of 1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane?
The InChIKey is TWCYQUNIDUTHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6.C4H7F/c5-2(6)1-3(7,8)4(2,9)10;1-4(2)3-5/h1H2;3H,1-2H3.
What are the key properties of 1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane?
1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane has a molecular weight of 238.15 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylprop-1-ene;1,1,2,2,3,3-hexafluorocyclobutane is sourced from PubChem (CID 161002972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).