8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene

C19H25F3 — CID 123162213

IUPAC8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene
SMILESC=C(C)C(C)(F)C1C=C=CCC2CC(C(F)(F)C(=C)C)(C2)C1
InChIInChI=1S/C19H25F3/c1-13(2)17(5,20)16-9-7-6-8-15-10-18(11-15,12-16)19(21,22)14(3)4/h6,9,15-16H,1,3,8,10-12H2,2,4-5H3
InChIKeyHMKIRXVRYIZADJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP6.02
Rot. Bonds4

About 8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene

8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene (PubChem CID 123162213) has the molecular formula C19H25F3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene.

Molecular Properties

Compound Name8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene
PubChem CID123162213
Molecular FormulaC19H25F3
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene
SMILESC=C(C)C(C)(F)C1C=C=CCC2CC(C(F)(F)C(=C)C)(C2)C1
InChIInChI=1S/C19H25F3/c1-13(2)17(5,20)16-9-7-6-8-15-10-18(11-15,12-16)19(21,22)14(3)4/h6,9,15-16H,1,3,8,10-12H2,2,4-5H3
InChIKeyHMKIRXVRYIZADJ-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene?
The IUPAC name of 8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene (CID 123162213) is 8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene.
What is the SMILES notation for 8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene?
The canonical SMILES for 8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene is C=C(C)C(C)(F)C1C=C=CCC2CC(C(F)(F)C(=C)C)(C2)C1.
What is the InChIKey of 8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene?
The InChIKey is HMKIRXVRYIZADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3/c1-13(2)17(5,20)16-9-7-6-8-15-10-18(11-15,12-16)19(21,22)14(3)4/h6,9,15-16H,1,3,8,10-12H2,2,4-5H3.
What are the key properties of 8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene?
8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene has a molecular weight of 310.40 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1-difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene is sourced from PubChem (CID 123162213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).