(E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene

C5H2ClF7 — CID 21459299

IUPAC(E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
SMILESF/C=C/C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2ClF7/c6-3(1-2-7,4(8,9)10)5(11,12)13/h1-2H/b2-1+
InChIKeyYJBPVNLDAWODRA-OWOJBTEDSA-N
MW230.51 g/mol
LogP3.57
Rot. Bonds1

About (E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene

(E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene (PubChem CID 21459299) has the molecular formula C5H2ClF7 and a molecular weight of 230.51 g/mol. Its IUPAC name is (E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name(E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
PubChem CID21459299
Molecular FormulaC5H2ClF7
Molecular Weight230.51 g/mol
Exact Mass229.97
IUPAC Name(E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
SMILESF/C=C/C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2ClF7/c6-3(1-2-7,4(8,9)10)5(11,12)13/h1-2H/b2-1+
InChIKeyYJBPVNLDAWODRA-OWOJBTEDSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.51
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene?
The IUPAC name of (E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene (CID 21459299) is (E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene.
What is the SMILES notation for (E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene?
The canonical SMILES for (E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene is F/C=C/C(Cl)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene?
The InChIKey is YJBPVNLDAWODRA-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H2ClF7/c6-3(1-2-7,4(8,9)10)5(11,12)13/h1-2H/b2-1+.
What are the key properties of (E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene?
(E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene has a molecular weight of 230.51 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 21459299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).