1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane

C11H19F — CID 171498322

IUPAC1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane
SMILESC=CC1(C)CC(F)(C=C)C1.CC
InChIInChI=1S/C9H13F.C2H6/c1-4-8(3)6-9(10,5-2)7-8;1-2/h4-5H,1-2,6-7H2,3H3;1-2H3
InChIKeyWPYRUDDVYITJHM-UHFFFAOYSA-N
MW170.27 g/mol
LogP3.89
Rot. Bonds2

About 1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane

1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane (PubChem CID 171498322) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is 1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane.

Molecular Properties

Compound Name1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane
PubChem CID171498322
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Name1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane
SMILESC=CC1(C)CC(F)(C=C)C1.CC
InChIInChI=1S/C9H13F.C2H6/c1-4-8(3)6-9(10,5-2)7-8;1-2/h4-5H,1-2,6-7H2,3H3;1-2H3
InChIKeyWPYRUDDVYITJHM-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 53.89
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

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CID 154558777
1-ethenyl-1,3,3,5-tetramethylcyclohexane
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1-ethenyl-3,3-difluoro-1-propan-2-ylcyclobutane
CID 167353991
1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane
CID 170194863
ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane
CID 143788667
1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane
CID 159055712
3-ethenyl-3-methylthiolane 1,1-dioxide
CID 162359414
3-ethenyl-3-methylcyclobutane-1-carboxamide
CID 143058986
2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde
CID 176712204
4-ethenyl-4-methyloxan-2-ol
CID 175501188
4-ethenyl-2,4-dimethylcyclohexan-1-ol
CID 58534503
(4bR,7R)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-2,8a-diol
CID 162414705

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane?
The IUPAC name of 1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane (CID 171498322) is 1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane.
What is the SMILES notation for 1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane?
The canonical SMILES for 1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane is C=CC1(C)CC(F)(C=C)C1.CC.
What is the InChIKey of 1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane?
The InChIKey is WPYRUDDVYITJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F.C2H6/c1-4-8(3)6-9(10,5-2)7-8;1-2/h4-5H,1-2,6-7H2,3H3;1-2H3.
What are the key properties of 1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane?
1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane has a molecular weight of 170.27 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 1,3-bis(ethenyl)-1-fluoro-3-methylcyclobutane;ethane is sourced from PubChem (CID 171498322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).