1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene

C9H12F2O — CID 129113003

IUPAC1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene
SMILESCC(C)OC1=C(F)C(F)CC=C1
InChIInChI=1S/C9H12F2O/c1-6(2)12-8-5-3-4-7(10)9(8)11/h3,5-7H,4H2,1-2H3
InChIKeyHBAURHSBMSWNML-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.89
Rot. Bonds2

About 1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene

1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene (PubChem CID 129113003) has the molecular formula C9H12F2O and a molecular weight of 174.19 g/mol. Its IUPAC name is 1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene
PubChem CID129113003
Molecular FormulaC9H12F2O
Molecular Weight174.19 g/mol
Exact Mass174.09
IUPAC Name1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene
SMILESCC(C)OC1=C(F)C(F)CC=C1
InChIInChI=1S/C9H12F2O/c1-6(2)12-8-5-3-4-7(10)9(8)11/h3,5-7H,4H2,1-2H3
InChIKeyHBAURHSBMSWNML-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene?
The IUPAC name of 1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene (CID 129113003) is 1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene.
What is the SMILES notation for 1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene?
The canonical SMILES for 1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene is CC(C)OC1=C(F)C(F)CC=C1.
What is the InChIKey of 1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene?
The InChIKey is HBAURHSBMSWNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O/c1-6(2)12-8-5-3-4-7(10)9(8)11/h3,5-7H,4H2,1-2H3.
What are the key properties of 1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene?
1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene has a molecular weight of 174.19 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-2-propan-2-yloxycyclohexa-1,3-diene is sourced from PubChem (CID 129113003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).