(3E)-1,1,4-trifluorobuta-1,3-diene

C4H3F3 — CID 18927928

IUPAC(3E)-1,1,4-trifluorobuta-1,3-diene
SMILESF/C=C/C=C(F)F
InChIInChI=1S/C4H3F3/c5-3-1-2-4(6)7/h1-3H/b3-1+
InChIKeyHDZZLSVHHHKKQQ-HNQUOIGGSA-N
MW108.06 g/mol
LogP2.25
Rot. Bonds1

About (3E)-1,1,4-trifluorobuta-1,3-diene

(3E)-1,1,4-trifluorobuta-1,3-diene (PubChem CID 18927928) has the molecular formula C4H3F3 and a molecular weight of 108.06 g/mol. Its IUPAC name is (3E)-1,1,4-trifluorobuta-1,3-diene.

Molecular Properties

Compound Name(3E)-1,1,4-trifluorobuta-1,3-diene
PubChem CID18927928
Molecular FormulaC4H3F3
Molecular Weight108.06 g/mol
Exact Mass108.02
IUPAC Name(3E)-1,1,4-trifluorobuta-1,3-diene
SMILESF/C=C/C=C(F)F
InChIInChI=1S/C4H3F3/c5-3-1-2-4(6)7/h1-3H/b3-1+
InChIKeyHDZZLSVHHHKKQQ-HNQUOIGGSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.06
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-Difluoro-1,3-butadiene
CID 11506444
Alkenes, C4-20 alpha-, gamma-omega-perfluoro
CID 109645
1,3,3-Trifluoro-1-propene
CID 6365375
5,5,5-Trifluoro-1,3-pentadiene
CID 11629600
1,1,3-Trifluoro-1,3-butadiene
CID 21252219
trans,trans-1,4-Difluorobutadiene
CID 22465951
1-Propene, 1,3,3-trifluoro-, (Z)-
CID 50938809
1,4-Difluorobuta-1,3-diene
CID 71359695
cis,cis-1,4-Difluoro-1,3-butadiene
CID 92017310
(e,z)-1,4-Difluoro-1,3-butadiene
CID 100998743
1,3,3-Trifluoroprop-1-ene
CID 3015636
(1Z)-1,2-difluorobuta-1,3-diene
CID 18317121

Frequently Asked Questions

What is the IUPAC name of (3E)-1,1,4-trifluorobuta-1,3-diene?
The IUPAC name of (3E)-1,1,4-trifluorobuta-1,3-diene (CID 18927928) is (3E)-1,1,4-trifluorobuta-1,3-diene.
What is the SMILES notation for (3E)-1,1,4-trifluorobuta-1,3-diene?
The canonical SMILES for (3E)-1,1,4-trifluorobuta-1,3-diene is F/C=C/C=C(F)F.
What is the InChIKey of (3E)-1,1,4-trifluorobuta-1,3-diene?
The InChIKey is HDZZLSVHHHKKQQ-HNQUOIGGSA-N. The full InChI is InChI=1S/C4H3F3/c5-3-1-2-4(6)7/h1-3H/b3-1+.
What are the key properties of (3E)-1,1,4-trifluorobuta-1,3-diene?
(3E)-1,1,4-trifluorobuta-1,3-diene has a molecular weight of 108.06 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1,4-trifluorobuta-1,3-diene is sourced from PubChem (CID 18927928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).