(Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal

C6H2F8O — CID 146171041

IUPAC(Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal
SMILESO=C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F8O/c7-3(1-2-15)4(8,9)5(10,11)6(12,13)14/h1-2H/b3-1-
InChIKeyHFHWKEZNQKNBEL-IWQZZHSRSA-N
MW242.06 g/mol
LogP2.87
Rot. Bonds3

About (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal

(Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal (PubChem CID 146171041) has the molecular formula C6H2F8O and a molecular weight of 242.06 g/mol. Its IUPAC name is (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal.

Molecular Properties

Compound Name(Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal
PubChem CID146171041
Molecular FormulaC6H2F8O
Molecular Weight242.06 g/mol
Exact Mass242.00
IUPAC Name(Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal
SMILESO=C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F8O/c7-3(1-2-15)4(8,9)5(10,11)6(12,13)14/h1-2H/b3-1-
InChIKeyHFHWKEZNQKNBEL-IWQZZHSRSA-N
XLogP2.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Hexadecafluorodec-2-enal
CID 20111612
3,4,4,5,5,6,6,7,7,8,8,8-Dodecafluorooct-2-enal
CID 85649173
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Hexadecafluorodec-2-enal
CID 71371142
(E)-8:2 Fluorotelomer unsaturated aldehyde
CID 92017308
(Z)-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-enal
CID 146171053
(E)-4:2 Fluorotelomer unsaturated aldehyde
CID 162396670
(E)-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-enal
CID 162396673
(2Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Icosafluorododec-2-enal
CID 20111613
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Icosafluorododec-2-enal
CID 73663132
3,4,4,5,5,6,6,6aOctafluorohexa2aenal
CID 85649170
(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enal
CID 146171110
4,4,5,5,5-Pentafluoropent-2-en-1-one
CID 129878550

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal?
The IUPAC name of (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal (CID 146171041) is (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal.
What is the SMILES notation for (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal?
The canonical SMILES for (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal is O=C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal?
The InChIKey is HFHWKEZNQKNBEL-IWQZZHSRSA-N. The full InChI is InChI=1S/C6H2F8O/c7-3(1-2-15)4(8,9)5(10,11)6(12,13)14/h1-2H/b3-1-.
What are the key properties of (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal?
(Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal has a molecular weight of 242.06 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4,4,5,5,6,6,6-octafluorohex-2-enal is sourced from PubChem (CID 146171041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).