3,4-difluorocyclopentane-1-carbaldehyde

C6H8F2O — CID 140541377

IUPAC3,4-difluorocyclopentane-1-carbaldehyde
SMILESO=CC1CC(F)C(F)C1
InChIInChI=1S/C6H8F2O/c7-5-1-4(3-9)2-6(5)8/h3-6H,1-2H2
InChIKeyTWOLPTZPQFAVOB-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.27
Rot. Bonds1

About 3,4-difluorocyclopentane-1-carbaldehyde

3,4-difluorocyclopentane-1-carbaldehyde (PubChem CID 140541377) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 3,4-difluorocyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name3,4-difluorocyclopentane-1-carbaldehyde
PubChem CID140541377
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name3,4-difluorocyclopentane-1-carbaldehyde
SMILESO=CC1CC(F)C(F)C1
InChIInChI=1S/C6H8F2O/c7-5-1-4(3-9)2-6(5)8/h3-6H,1-2H2
InChIKeyTWOLPTZPQFAVOB-UHFFFAOYSA-N
XLogP1.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.27
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 3,4-difluorocyclopentane-1-carbaldehyde?
The IUPAC name of 3,4-difluorocyclopentane-1-carbaldehyde (CID 140541377) is 3,4-difluorocyclopentane-1-carbaldehyde.
What is the SMILES notation for 3,4-difluorocyclopentane-1-carbaldehyde?
The canonical SMILES for 3,4-difluorocyclopentane-1-carbaldehyde is O=CC1CC(F)C(F)C1.
What is the InChIKey of 3,4-difluorocyclopentane-1-carbaldehyde?
The InChIKey is TWOLPTZPQFAVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c7-5-1-4(3-9)2-6(5)8/h3-6H,1-2H2.
What are the key properties of 3,4-difluorocyclopentane-1-carbaldehyde?
3,4-difluorocyclopentane-1-carbaldehyde has a molecular weight of 134.12 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluorocyclopentane-1-carbaldehyde is sourced from PubChem (CID 140541377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).