1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane

C8H10F2 — CID 170194863

IUPAC1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane
SMILESC=C=CC1(C)CC(F)(F)C1
InChIInChI=1S/C8H10F2/c1-3-4-7(2)5-8(9,10)6-7/h4H,1,5-6H2,2H3
InChIKeyXTBIWRAZHXIYJV-UHFFFAOYSA-N
MW144.16 g/mol
LogP2.76
Rot. Bonds1

About 1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane

1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane (PubChem CID 170194863) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is 1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane.

Molecular Properties

Compound Name1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane
PubChem CID170194863
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane
SMILESC=C=CC1(C)CC(F)(F)C1
InChIInChI=1S/C8H10F2/c1-3-4-7(2)5-8(9,10)6-7/h4H,1,5-6H2,2H3
InChIKeyXTBIWRAZHXIYJV-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-1-propa-1,2-dienylcyclopentadecane
CID 174968799
1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane
CID 171498322
2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde
CID 176712204
1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane
CID 167353991
buta-1,2-diene;ethane
CID 143712294
1,1-difluoro-4-propa-1,2-dienylcyclohexane
CID 174809330
1,1-difluoro-3-methyl-3-(sulfamoylamino)cyclobutane
CID 167493650
1-propa-1,2-dienylcyclopentan-1-ol
CID 11344016
3,3-difluoro-1-methylcyclobutane-1-carboxylic acid
CID 23446853
1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane
CID 177300443
1,1,3-trifluoro-3-methylcyclopentane
CID 118604356
cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol
CID 10734300

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane?
The IUPAC name of 1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane (CID 170194863) is 1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane.
What is the SMILES notation for 1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane?
The canonical SMILES for 1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane is C=C=CC1(C)CC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane?
The InChIKey is XTBIWRAZHXIYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2/c1-3-4-7(2)5-8(9,10)6-7/h4H,1,5-6H2,2H3.
What are the key properties of 1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane?
1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane has a molecular weight of 144.16 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane is sourced from PubChem (CID 170194863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).