(E)-2,3,4,4-tetrafluorobut-2-enal

C4H2F4O — CID 174819569

IUPAC(E)-2,3,4,4-tetrafluorobut-2-enal
SMILESO=C/C(F)=C(\F)C(F)F
InChIInChI=1S/C4H2F4O/c5-2(1-9)3(6)4(7)8/h1,4H/b3-2+
InChIKeyCUTOUUWZYXRPAB-NSCUHMNNSA-N
MW142.05 g/mol
LogP1.60
Rot. Bonds2

About (E)-2,3,4,4-tetrafluorobut-2-enal

(E)-2,3,4,4-tetrafluorobut-2-enal (PubChem CID 174819569) has the molecular formula C4H2F4O and a molecular weight of 142.05 g/mol. Its IUPAC name is (E)-2,3,4,4-tetrafluorobut-2-enal.

Molecular Properties

Compound Name(E)-2,3,4,4-tetrafluorobut-2-enal
PubChem CID174819569
Molecular FormulaC4H2F4O
Molecular Weight142.05 g/mol
Exact Mass142.00
IUPAC Name(E)-2,3,4,4-tetrafluorobut-2-enal
SMILESO=C/C(F)=C(\F)C(F)F
InChIInChI=1S/C4H2F4O/c5-2(1-9)3(6)4(7)8/h1,4H/b3-2+
InChIKeyCUTOUUWZYXRPAB-NSCUHMNNSA-N
XLogP1.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.05
LogP ≤ 51.60
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'}

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Related Compounds

carbonic acid;1,1,2,3,3-pentafluoroprop-1-ene
CID 135262212
(E)-2,4,4-trifluorobut-2-enal
CID 168983603
1,1,2-trifluoro-3-methylbut-2-ene
CID 135261950
1,2,3,3-tetrafluoro-1-iodoprop-1-ene
CID 175825557
(E)-1,1,3,4,4-pentafluorobut-2-en-2-ol
CID 90476807
fluoroform;formic acid
CID 23325859
1,2,3,4,5,5-hexafluoropenta-1,3-diene
CID 154049218
1,1,2-trifluoro-2-sulfonylethane
CID 91381301
1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride
CID 161214870
3,4,5,5-tetrafluoro-2-hydroxypent-3-enoic acid
CID 163324821
N-(3,3-difluoroprop-1-en-2-ylamino)formamide
CID 145239038
trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium
CID 10945866

Frequently Asked Questions

What is the IUPAC name of (E)-2,3,4,4-tetrafluorobut-2-enal?
The IUPAC name of (E)-2,3,4,4-tetrafluorobut-2-enal (CID 174819569) is (E)-2,3,4,4-tetrafluorobut-2-enal.
What is the SMILES notation for (E)-2,3,4,4-tetrafluorobut-2-enal?
The canonical SMILES for (E)-2,3,4,4-tetrafluorobut-2-enal is O=C/C(F)=C(\F)C(F)F.
What is the InChIKey of (E)-2,3,4,4-tetrafluorobut-2-enal?
The InChIKey is CUTOUUWZYXRPAB-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H2F4O/c5-2(1-9)3(6)4(7)8/h1,4H/b3-2+.
What are the key properties of (E)-2,3,4,4-tetrafluorobut-2-enal?
(E)-2,3,4,4-tetrafluorobut-2-enal has a molecular weight of 142.05 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3,4,4-tetrafluorobut-2-enal is sourced from PubChem (CID 174819569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).