1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane

C9H14F2 — CID 167353991

IUPAC1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane
SMILESC=CC1(C(C)C)CC(F)(F)C1
InChIInChI=1S/C9H14F2/c1-4-8(7(2)3)5-9(10,11)6-8/h4,7H,1,5-6H2,2-3H3
InChIKeyKCEZFWFNMRZFBU-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.24
Rot. Bonds2

About 1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane

1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane (PubChem CID 167353991) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane.

Molecular Properties

Compound Name1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane
PubChem CID167353991
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane
SMILESC=CC1(C(C)C)CC(F)(F)C1
InChIInChI=1S/C9H14F2/c1-4-8(7(2)3)5-9(10,11)6-8/h4,7H,1,5-6H2,2-3H3
InChIKeyKCEZFWFNMRZFBU-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.24
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

4-ethenyl-4-propan-2-ylcyclopentene
CID 23385052
1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane
CID 171498322
1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane
CID 177300443
1-propan-2-ylcycloheptane-1-carbaldehyde
CID 130026144
2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde
CID 176712204
1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane
CID 170194863
ethane;2-methylpropane;prop-1-ene
CID 142053608
1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane
CID 171795307
7-ethenyl-2,2-difluorospiro[3.5]nonane
CID 178020956
1-ethenyl-1-(methylsulfanylmethyl)cyclooctane
CID 123995657
6-(1,1-difluoroethyl)-2,2-difluoro-6-propan-2-ylspiro[3.3]heptane
CID 174262930
1-ethyl-2,2-difluoro-1-propan-2-ylcyclopropane
CID 89275697

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane?
The IUPAC name of 1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane (CID 167353991) is 1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane.
What is the SMILES notation for 1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane?
The canonical SMILES for 1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane is C=CC1(C(C)C)CC(F)(F)C1.
What is the InChIKey of 1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane?
The InChIKey is KCEZFWFNMRZFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-4-8(7(2)3)5-9(10,11)6-8/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane?
1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane has a molecular weight of 160.21 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane is sourced from PubChem (CID 167353991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).