2-chloro-1,1,1,3-tetrafluorobut-2-ene

C4H3ClF4 — CID 53395469

IUPAC2-chloro-1,1,1,3-tetrafluorobut-2-ene
SMILESCC(F)=C(Cl)C(F)(F)F
InChIInChI=1S/C4H3ClF4/c1-2(6)3(5)4(7,8)9/h1H3
InChIKeyRDZGKBDJFRDSAK-UHFFFAOYSA-N
MW162.51 g/mol
LogP2.99
Rot. Bonds

About 2-chloro-1,1,1,3-tetrafluorobut-2-ene

2-chloro-1,1,1,3-tetrafluorobut-2-ene (PubChem CID 53395469) has the molecular formula C4H3ClF4 and a molecular weight of 162.51 g/mol. Its IUPAC name is 2-chloro-1,1,1,3-tetrafluorobut-2-ene.

Molecular Properties

Compound Name2-chloro-1,1,1,3-tetrafluorobut-2-ene
PubChem CID53395469
Molecular FormulaC4H3ClF4
Molecular Weight162.51 g/mol
Exact Mass161.99
IUPAC Name2-chloro-1,1,1,3-tetrafluorobut-2-ene
SMILESCC(F)=C(Cl)C(F)(F)F
InChIInChI=1S/C4H3ClF4/c1-2(6)3(5)4(7,8)9/h1H3
InChIKeyRDZGKBDJFRDSAK-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,1,3-tetrafluorobut-2-ene?
The IUPAC name of 2-chloro-1,1,1,3-tetrafluorobut-2-ene (CID 53395469) is 2-chloro-1,1,1,3-tetrafluorobut-2-ene.
What is the SMILES notation for 2-chloro-1,1,1,3-tetrafluorobut-2-ene?
The canonical SMILES for 2-chloro-1,1,1,3-tetrafluorobut-2-ene is CC(F)=C(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-1,1,1,3-tetrafluorobut-2-ene?
The InChIKey is RDZGKBDJFRDSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF4/c1-2(6)3(5)4(7,8)9/h1H3.
What are the key properties of 2-chloro-1,1,1,3-tetrafluorobut-2-ene?
2-chloro-1,1,1,3-tetrafluorobut-2-ene has a molecular weight of 162.51 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,1,3-tetrafluorobut-2-ene is sourced from PubChem (CID 53395469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).