6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde

C7H8F2O — CID 23532969

IUPAC6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde
SMILESO=CC1CC2C(C1)C2(F)F
InChIInChI=1S/C7H8F2O/c8-7(9)5-1-4(3-10)2-6(5)7/h3-6H,1-2H2
InChIKeyFDNVNXMDRNDLMG-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.48
Rot. Bonds1

About 6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde

6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde (PubChem CID 23532969) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is 6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde.

Molecular Properties

Compound Name6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde
PubChem CID23532969
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde
SMILESO=CC1CC2C(C1)C2(F)F
InChIInChI=1S/C7H8F2O/c8-7(9)5-1-4(3-10)2-6(5)7/h3-6H,1-2H2
InChIKeyFDNVNXMDRNDLMG-UHFFFAOYSA-N
XLogP1.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde?
The IUPAC name of 6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde (CID 23532969) is 6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde.
What is the SMILES notation for 6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde?
The canonical SMILES for 6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde is O=CC1CC2C(C1)C2(F)F.
What is the InChIKey of 6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde?
The InChIKey is FDNVNXMDRNDLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O/c8-7(9)5-1-4(3-10)2-6(5)7/h3-6H,1-2H2.
What are the key properties of 6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde?
6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde has a molecular weight of 146.14 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde is sourced from PubChem (CID 23532969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).