3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal

C8H2F13NO — CID 175370836

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal
SMILES[H]/N=C(\C=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F13NO/c9-3(10,2(22)1-23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1,22H/b22-2+
InChIKeyZHAHGNHYRJJFSQ-QOABUSIESA-N
MW375.08 g/mol
LogP3.94
Rot. Bonds6

About 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal (PubChem CID 175370836) has the molecular formula C8H2F13NO and a molecular weight of 375.08 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal
PubChem CID175370836
Molecular FormulaC8H2F13NO
Molecular Weight375.08 g/mol
Exact Mass374.99
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal
SMILES[H]/N=C(\C=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F13NO/c9-3(10,2(22)1-23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1,22H/b22-2+
InChIKeyZHAHGNHYRJJFSQ-QOABUSIESA-N
XLogP3.94
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.08
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 143609864
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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecanoyl chloride
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2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate
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CID 87771874
CID 87771874

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal (CID 175370836) is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal is [H]/N=C(\C=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal?
The InChIKey is ZHAHGNHYRJJFSQ-QOABUSIESA-N. The full InChI is InChI=1S/C8H2F13NO/c9-3(10,2(22)1-23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1,22H/b22-2+.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal?
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal has a molecular weight of 375.08 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iminooctanal is sourced from PubChem (CID 175370836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).