(1Z)-3,3-difluoro-6-propan-2-ylcyclooctene

C11H18F2 — CID 130400071

IUPAC(1Z)-3,3-difluoro-6-propan-2-ylcyclooctene
SMILESCC(C)C1CC/C=C\C(F)(F)CC1
InChIInChI=1S/C11H18F2/c1-9(2)10-5-3-4-7-11(12,13)8-6-10/h4,7,9-10H,3,5-6,8H2,1-2H3/b7-4-
InChIKeyBFIAXGIRXFITJT-DAXSKMNVSA-N
MW188.26 g/mol
LogP4.02
Rot. Bonds1

About (1Z)-3,3-difluoro-6-propan-2-ylcyclooctene

(1Z)-3,3-difluoro-6-propan-2-ylcyclooctene (PubChem CID 130400071) has the molecular formula C11H18F2 and a molecular weight of 188.26 g/mol. Its IUPAC name is (1Z)-3,3-difluoro-6-propan-2-ylcyclooctene.

Molecular Properties

Compound Name(1Z)-3,3-difluoro-6-propan-2-ylcyclooctene
PubChem CID130400071
Molecular FormulaC11H18F2
Molecular Weight188.26 g/mol
Exact Mass188.14
IUPAC Name(1Z)-3,3-difluoro-6-propan-2-ylcyclooctene
SMILESCC(C)C1CC/C=C\C(F)(F)CC1
InChIInChI=1S/C11H18F2/c1-9(2)10-5-3-4-7-11(12,13)8-6-10/h4,7,9-10H,3,5-6,8H2,1-2H3/b7-4-
InChIKeyBFIAXGIRXFITJT-DAXSKMNVSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cis-3-Butyl-4-vinyl-cyclopentene
CID 11051844
cis-3-Butyl-4-vinylcyclopentene
CID 10877299
Cyclooctene, 3-(1-methylethenyl)-
CID 5367373
3-(Butan-2-yl)cyclohex-1-ene
CID 139917
3-Butyl-4-vinyl-cyclopentene
CID 556462
(E)-8-(trifluoromethyl)tetradec-6-ene
CID 101032788
4-Propan-2-yl-1-(trifluoromethyl)cyclohexene
CID 118030314
(3R,6S,9R)-3,9-dimethyl-6-propan-2-ylcyclodecene
CID 53930425
(Z)-Cyclooctene, 4-methyl
CID 5352587
(3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene
CID 90980723
(3R,6S,9S)-7-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene
CID 91497215
(4R,7S,10R)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene
CID 91547739

Frequently Asked Questions

What is the IUPAC name of (1Z)-3,3-difluoro-6-propan-2-ylcyclooctene?
The IUPAC name of (1Z)-3,3-difluoro-6-propan-2-ylcyclooctene (CID 130400071) is (1Z)-3,3-difluoro-6-propan-2-ylcyclooctene.
What is the SMILES notation for (1Z)-3,3-difluoro-6-propan-2-ylcyclooctene?
The canonical SMILES for (1Z)-3,3-difluoro-6-propan-2-ylcyclooctene is CC(C)C1CC/C=C\C(F)(F)CC1.
What is the InChIKey of (1Z)-3,3-difluoro-6-propan-2-ylcyclooctene?
The InChIKey is BFIAXGIRXFITJT-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H18F2/c1-9(2)10-5-3-4-7-11(12,13)8-6-10/h4,7,9-10H,3,5-6,8H2,1-2H3/b7-4-.
What are the key properties of (1Z)-3,3-difluoro-6-propan-2-ylcyclooctene?
(1Z)-3,3-difluoro-6-propan-2-ylcyclooctene has a molecular weight of 188.26 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3,3-difluoro-6-propan-2-ylcyclooctene is sourced from PubChem (CID 130400071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).