1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene

C10H14F2O — CID 163393623

IUPAC1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=CC=C(OC(F)F)CC1
InChIInChI=1S/C10H14F2O/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h3,5,7,10H,4,6H2,1-2H3
InChIKeyVRACVDWUWXZQEK-UHFFFAOYSA-N
MW188.22 g/mol
LogP3.49
Rot. Bonds3

About 1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene

1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene (PubChem CID 163393623) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene
PubChem CID163393623
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=CC=C(OC(F)F)CC1
InChIInChI=1S/C10H14F2O/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h3,5,7,10H,4,6H2,1-2H3
InChIKeyVRACVDWUWXZQEK-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene (CID 163393623) is 1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene is CC(C)C1=CC=C(OC(F)F)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is VRACVDWUWXZQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h3,5,7,10H,4,6H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene?
1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 188.22 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 163393623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).