6,6-difluorododecanal

C12H22F2O — CID 143801183

IUPAC6,6-difluorododecanal
SMILESCCCCCCC(F)(F)CCCCC=O
InChIInChI=1S/C12H22F2O/c1-2-3-4-6-9-12(13,14)10-7-5-8-11-15/h11H,2-10H2,1H3
InChIKeySBIGDYJACPWOCT-UHFFFAOYSA-N
MW220.30 g/mol
LogP4.35
Rot. Bonds10

About 6,6-difluorododecanal

6,6-difluorododecanal (PubChem CID 143801183) has the molecular formula C12H22F2O and a molecular weight of 220.30 g/mol. Its IUPAC name is 6,6-difluorododecanal.

Molecular Properties

Compound Name6,6-difluorododecanal
PubChem CID143801183
Molecular FormulaC12H22F2O
Molecular Weight220.30 g/mol
Exact Mass220.16
IUPAC Name6,6-difluorododecanal
SMILESCCCCCCC(F)(F)CCCCC=O
InChIInChI=1S/C12H22F2O/c1-2-3-4-6-9-12(13,14)10-7-5-8-11-15/h11H,2-10H2,1H3
InChIKeySBIGDYJACPWOCT-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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decanal;decane
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azane;octadecanal
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decanal;dihydrochloride
CID 87616227
undecanal;hydrate
CID 154984235
ruthenium;tridecanal
CID 175429355
acetaldehyde;dodecanal
CID 163903587
hexanal;titanium
CID 87066655
hexanal;trihydrochloride
CID 175325753
1,1,1,7,7-pentafluoroheptadecane
CID 54180623
(Z)-tetradec-8-enal
CID 6430188

Frequently Asked Questions

What is the IUPAC name of 6,6-difluorododecanal?
The IUPAC name of 6,6-difluorododecanal (CID 143801183) is 6,6-difluorododecanal.
What is the SMILES notation for 6,6-difluorododecanal?
The canonical SMILES for 6,6-difluorododecanal is CCCCCCC(F)(F)CCCCC=O.
What is the InChIKey of 6,6-difluorododecanal?
The InChIKey is SBIGDYJACPWOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O/c1-2-3-4-6-9-12(13,14)10-7-5-8-11-15/h11H,2-10H2,1H3.
What are the key properties of 6,6-difluorododecanal?
6,6-difluorododecanal has a molecular weight of 220.30 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluorododecanal is sourced from PubChem (CID 143801183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).