2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene

C12H22F2O — CID 76738465

IUPAC2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene
SMILESCC(C)CCC=CC(F)(F)COC(C)C
InChIInChI=1S/C12H22F2O/c1-10(2)7-5-6-8-12(13,14)9-15-11(3)4/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyBVSXYTZDJXAQQM-UHFFFAOYSA-N
MW220.30 g/mol
LogP4.04
Rot. Bonds7

About 2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene

2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene (PubChem CID 76738465) has the molecular formula C12H22F2O and a molecular weight of 220.30 g/mol. Its IUPAC name is 2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene.

Molecular Properties

Compound Name2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene
PubChem CID76738465
Molecular FormulaC12H22F2O
Molecular Weight220.30 g/mol
Exact Mass220.16
IUPAC Name2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene
SMILESCC(C)CCC=CC(F)(F)COC(C)C
InChIInChI=1S/C12H22F2O/c1-10(2)7-5-6-8-12(13,14)9-15-11(3)4/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyBVSXYTZDJXAQQM-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene
CID 58275557
(E)-6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene
CID 58275570
(E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene
CID 58275575
(E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene
CID 58275581
(E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene
CID 58275582
1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane
CID 58275590
(E)-3,3-difluoro-2,2,8,8-tetramethyl-9-propan-2-yloxynon-4-ene
CID 58275592
(E)-5,5-difluoro-2,2,6-trimethyl-1-propan-2-yloxyhept-3-ene
CID 58275603
2,2-Difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene
CID 76738455
6,6-Difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene
CID 76738459
2,2-Difluoro-6-methyl-1-propan-2-yloxyhept-3-ene
CID 76738461
2,2-Difluoro-9-methyl-1-propan-2-yloxydec-3-ene
CID 76738466

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene?
The IUPAC name of 2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene (CID 76738465) is 2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene.
What is the SMILES notation for 2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene?
The canonical SMILES for 2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene is CC(C)CCC=CC(F)(F)COC(C)C.
What is the InChIKey of 2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene?
The InChIKey is BVSXYTZDJXAQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O/c1-10(2)7-5-6-8-12(13,14)9-15-11(3)4/h6,8,10-11H,5,7,9H2,1-4H3.
What are the key properties of 2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene?
2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene has a molecular weight of 220.30 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene is sourced from PubChem (CID 76738465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).