2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene

C10H18F2O — CID 123645908

IUPAC2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene
SMILESCOCC(C)(C)CC=CC(C)(F)F
InChIInChI=1S/C10H18F2O/c1-9(2,8-13-4)6-5-7-10(3,11)12/h5,7H,6,8H2,1-4H3
InChIKeyVOLXYWWDZXXYRJ-UHFFFAOYSA-N
MW192.25 g/mol
LogP3.26
Rot. Bonds5

About 2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene

2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene (PubChem CID 123645908) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene.

Molecular Properties

Compound Name2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene
PubChem CID123645908
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene
SMILESCOCC(C)(C)CC=CC(C)(F)F
InChIInChI=1S/C10H18F2O/c1-9(2,8-13-4)6-5-7-10(3,11)12/h5,7H,6,8H2,1-4H3
InChIKeyVOLXYWWDZXXYRJ-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.26
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)-6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene
CID 58275570
3-[(E)-3,3-difluoro-4-methylpent-1-enyl]-3-methyloxolane
CID 68343182
3-[(E)-3,3-difluoropent-1-enyl]-3-methyloxolane
CID 68343255
1-[(E)-3,3-difluorobut-1-enyl]-1-(methoxymethyl)cyclopropane
CID 69923455
1-[(E)-4,4-difluoropent-2-enyl]-1-(methoxymethyl)cyclopropane
CID 69923872
6,6-Difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene
CID 76738459
1-(3,3-Difluorobut-1-enyl)-1-(methoxymethyl)cyclopropane
CID 77744083
1-(4,4-Difluoropent-2-enyl)-1-(methoxymethyl)cyclopropane
CID 77744139
(E)-7-ethyl-2,2-difluoro-7-(methoxymethyl)non-3-ene
CID 88054498
(E)-2,2-difluoro-8-methoxy-7,7-dimethyloct-3-ene
CID 88054553
(E)-2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene
CID 88054562
(E)-2,2-difluoro-9-methoxy-8,8-dimethylnon-3-ene
CID 88054586

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene?
The IUPAC name of 2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene (CID 123645908) is 2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene.
What is the SMILES notation for 2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene?
The canonical SMILES for 2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene is COCC(C)(C)CC=CC(C)(F)F.
What is the InChIKey of 2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene?
The InChIKey is VOLXYWWDZXXYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-9(2,8-13-4)6-5-7-10(3,11)12/h5,7H,6,8H2,1-4H3.
What are the key properties of 2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene?
2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene has a molecular weight of 192.25 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene is sourced from PubChem (CID 123645908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).