1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene

C10H12F2O — CID 70288749

IUPAC1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene
SMILESFC(F)OC1=C(C2CC2)CCC=C1
InChIInChI=1S/C10H12F2O/c11-10(12)13-9-4-2-1-3-8(9)7-5-6-7/h2,4,7,10H,1,3,5-6H2
InChIKeyYYKFOZHGGPBCQP-UHFFFAOYSA-N
MW186.20 g/mol
LogP3.24
Rot. Bonds3

About 1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene

1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene (PubChem CID 70288749) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene
PubChem CID70288749
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene
SMILESFC(F)OC1=C(C2CC2)CCC=C1
InChIInChI=1S/C10H12F2O/c11-10(12)13-9-4-2-1-3-8(9)7-5-6-7/h2,4,7,10H,1,3,5-6H2
InChIKeyYYKFOZHGGPBCQP-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene (CID 70288749) is 1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene is FC(F)OC1=C(C2CC2)CCC=C1.
What is the InChIKey of 1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is YYKFOZHGGPBCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c11-10(12)13-9-4-2-1-3-8(9)7-5-6-7/h2,4,7,10H,1,3,5-6H2.
What are the key properties of 1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene?
1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 186.20 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 70288749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).