2-chloro-1,1,1,4-tetrafluorobut-2-ene

C4H3ClF4 — CID 2773836

IUPAC2-chloro-1,1,1,4-tetrafluorobut-2-ene
SMILESFCC=C(Cl)C(F)(F)F
InChIInChI=1S/C4H3ClF4/c5-3(1-2-6)4(7,8)9/h1H,2H2
InChIKeyUSNKISPGPVQSDY-UHFFFAOYSA-N
MW162.51 g/mol
LogP2.64
Rot. Bonds1

About 2-chloro-1,1,1,4-tetrafluorobut-2-ene

2-chloro-1,1,1,4-tetrafluorobut-2-ene (PubChem CID 2773836) has the molecular formula C4H3ClF4 and a molecular weight of 162.51 g/mol. Its IUPAC name is 2-chloro-1,1,1,4-tetrafluorobut-2-ene.

Molecular Properties

Compound Name2-chloro-1,1,1,4-tetrafluorobut-2-ene
PubChem CID2773836
Molecular FormulaC4H3ClF4
Molecular Weight162.51 g/mol
Exact Mass161.99
IUPAC Name2-chloro-1,1,1,4-tetrafluorobut-2-ene
SMILESFCC=C(Cl)C(F)(F)F
InChIInChI=1S/C4H3ClF4/c5-3(1-2-6)4(7,8)9/h1H,2H2
InChIKeyUSNKISPGPVQSDY-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.51
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,1,4-tetrafluorobut-2-ene?
The IUPAC name of 2-chloro-1,1,1,4-tetrafluorobut-2-ene (CID 2773836) is 2-chloro-1,1,1,4-tetrafluorobut-2-ene.
What is the SMILES notation for 2-chloro-1,1,1,4-tetrafluorobut-2-ene?
The canonical SMILES for 2-chloro-1,1,1,4-tetrafluorobut-2-ene is FCC=C(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-1,1,1,4-tetrafluorobut-2-ene?
The InChIKey is USNKISPGPVQSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF4/c5-3(1-2-6)4(7,8)9/h1H,2H2.
What are the key properties of 2-chloro-1,1,1,4-tetrafluorobut-2-ene?
2-chloro-1,1,1,4-tetrafluorobut-2-ene has a molecular weight of 162.51 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,1,4-tetrafluorobut-2-ene is sourced from PubChem (CID 2773836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).