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

C5H2ClF7 — CID 2736661

IUPAC2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
SMILESC=C(Cl)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2ClF7/c1-2(6)3(7,4(8,9)10)5(11,12)13/h1H2
InChIKeyVJFYSORKRLINOQ-UHFFFAOYSA-N
MW230.51 g/mol
LogP3.57
Rot. Bonds1

About 2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene

2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene (PubChem CID 2736661) has the molecular formula C5H2ClF7 and a molecular weight of 230.51 g/mol. Its IUPAC name is 2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
PubChem CID2736661
Molecular FormulaC5H2ClF7
Molecular Weight230.51 g/mol
Exact Mass229.97
IUPAC Name2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
SMILESC=C(Cl)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2ClF7/c1-2(6)3(7,4(8,9)10)5(11,12)13/h1H2
InChIKeyVJFYSORKRLINOQ-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene?
The IUPAC name of 2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene (CID 2736661) is 2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene.
What is the SMILES notation for 2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene?
The canonical SMILES for 2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene is C=C(Cl)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene?
The InChIKey is VJFYSORKRLINOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF7/c1-2(6)3(7,4(8,9)10)5(11,12)13/h1H2.
What are the key properties of 2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene?
2-chloro-3,4,4,4-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 2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 2736661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).