(2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal

C7H2F12O — CID 98118080

IUPAC(2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal
SMILESO=C[C@@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H2F12O/c8-2(1-20)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)19/h1-2H/t2-/m1/s1
InChIKeyJSPZRKPZOCGZNH-UWTATZPHSA-N
MW330.07 g/mol
LogP3.63
Rot. Bonds5

About (2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal

(2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal (PubChem CID 98118080) has the molecular formula C7H2F12O and a molecular weight of 330.07 g/mol. Its IUPAC name is (2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal.

Molecular Properties

Compound Name(2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal
PubChem CID98118080
Molecular FormulaC7H2F12O
Molecular Weight330.07 g/mol
Exact Mass329.99
IUPAC Name(2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal
SMILESO=C[C@@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H2F12O/c8-2(1-20)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)19/h1-2H/t2-/m1/s1
InChIKeyJSPZRKPZOCGZNH-UWTATZPHSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.07
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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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
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1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecan-1-ol
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1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of (2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal?
The IUPAC name of (2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal (CID 98118080) is (2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal.
What is the SMILES notation for (2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal?
The canonical SMILES for (2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal is O=C[C@@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal?
The InChIKey is JSPZRKPZOCGZNH-UWTATZPHSA-N. The full InChI is InChI=1S/C7H2F12O/c8-2(1-20)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)19/h1-2H/t2-/m1/s1.
What are the key properties of (2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal?
(2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal has a molecular weight of 330.07 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal is sourced from PubChem (CID 98118080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).