2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene

C11H20F2O — CID 76738461

IUPAC2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene
SMILESCC(C)CC=CC(F)(F)COC(C)C
InChIInChI=1S/C11H20F2O/c1-9(2)6-5-7-11(12,13)8-14-10(3)4/h5,7,9-10H,6,8H2,1-4H3
InChIKeyCCUBEBKZUNQFRZ-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.65
Rot. Bonds6

About 2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene

2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene (PubChem CID 76738461) has the molecular formula C11H20F2O and a molecular weight of 206.28 g/mol. Its IUPAC name is 2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene.

Molecular Properties

Compound Name2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene
PubChem CID76738461
Molecular FormulaC11H20F2O
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene
SMILESCC(C)CC=CC(F)(F)COC(C)C
InChIInChI=1S/C11H20F2O/c1-9(2)6-5-7-11(12,13)8-14-10(3)4/h5,7,9-10H,6,8H2,1-4H3
InChIKeyCCUBEBKZUNQFRZ-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.65
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
1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclopropane
CID 58275564
(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
(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
1-(3,3-Difluoro-4-methylpent-1-enyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 76738458
6,6-Difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene
CID 76738459
2,2-Difluoro-7-methyl-1-propan-2-yloxyoct-3-ene
CID 76738465
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-6-methyl-1-propan-2-yloxyhept-3-ene?
The IUPAC name of 2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene (CID 76738461) is 2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene.
What is the SMILES notation for 2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene?
The canonical SMILES for 2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene is CC(C)CC=CC(F)(F)COC(C)C.
What is the InChIKey of 2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene?
The InChIKey is CCUBEBKZUNQFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O/c1-9(2)6-5-7-11(12,13)8-14-10(3)4/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of 2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene?
2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene has a molecular weight of 206.28 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene is sourced from PubChem (CID 76738461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).