1-(1,1-difluoropropoxy)cyclohexene

C9H14F2O — CID 122448629

IUPAC1-(1,1-difluoropropoxy)cyclohexene
SMILESCCC(F)(F)OC1=CCCCC1
InChIInChI=1S/C9H14F2O/c1-2-9(10,11)12-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3
InChIKeyZNQOXEAAQUJNKJ-UHFFFAOYSA-N
MW176.21 g/mol
LogP3.46
Rot. Bonds3

About 1-(1,1-difluoropropoxy)cyclohexene

1-(1,1-difluoropropoxy)cyclohexene (PubChem CID 122448629) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-(1,1-difluoropropoxy)cyclohexene.

Molecular Properties

Compound Name1-(1,1-difluoropropoxy)cyclohexene
PubChem CID122448629
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name1-(1,1-difluoropropoxy)cyclohexene
SMILESCCC(F)(F)OC1=CCCCC1
InChIInChI=1S/C9H14F2O/c1-2-9(10,11)12-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3
InChIKeyZNQOXEAAQUJNKJ-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropoxy)cyclohexene?
The IUPAC name of 1-(1,1-difluoropropoxy)cyclohexene (CID 122448629) is 1-(1,1-difluoropropoxy)cyclohexene.
What is the SMILES notation for 1-(1,1-difluoropropoxy)cyclohexene?
The canonical SMILES for 1-(1,1-difluoropropoxy)cyclohexene is CCC(F)(F)OC1=CCCCC1.
What is the InChIKey of 1-(1,1-difluoropropoxy)cyclohexene?
The InChIKey is ZNQOXEAAQUJNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-2-9(10,11)12-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3.
What are the key properties of 1-(1,1-difluoropropoxy)cyclohexene?
1-(1,1-difluoropropoxy)cyclohexene has a molecular weight of 176.21 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropoxy)cyclohexene is sourced from PubChem (CID 122448629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).