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

C4H3ClF4 — CID 87404344

IUPAC2-chloro-1,1,4,4-tetrafluorobut-1-ene
SMILESFC(F)=C(Cl)CC(F)F
InChIInChI=1S/C4H3ClF4/c5-2(4(8)9)1-3(6)7/h3H,1H2
InChIKeySBGXJDCLUGWVBC-UHFFFAOYSA-N
MW162.51 g/mol
LogP2.99
Rot. Bonds2

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

2-chloro-1,1,4,4-tetrafluorobut-1-ene (PubChem CID 87404344) has the molecular formula C4H3ClF4 and a molecular weight of 162.51 g/mol. Its IUPAC name is 2-chloro-1,1,4,4-tetrafluorobut-1-ene.

Molecular Properties

Compound Name2-chloro-1,1,4,4-tetrafluorobut-1-ene
PubChem CID87404344
Molecular FormulaC4H3ClF4
Molecular Weight162.51 g/mol
Exact Mass161.99
IUPAC Name2-chloro-1,1,4,4-tetrafluorobut-1-ene
SMILESFC(F)=C(Cl)CC(F)F
InChIInChI=1S/C4H3ClF4/c5-2(4(8)9)1-3(6)7/h3H,1H2
InChIKeySBGXJDCLUGWVBC-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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-1,1,4,4-tetrafluorobut-1-ene?
The IUPAC name of 2-chloro-1,1,4,4-tetrafluorobut-1-ene (CID 87404344) is 2-chloro-1,1,4,4-tetrafluorobut-1-ene.
What is the SMILES notation for 2-chloro-1,1,4,4-tetrafluorobut-1-ene?
The canonical SMILES for 2-chloro-1,1,4,4-tetrafluorobut-1-ene is FC(F)=C(Cl)CC(F)F.
What is the InChIKey of 2-chloro-1,1,4,4-tetrafluorobut-1-ene?
The InChIKey is SBGXJDCLUGWVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF4/c5-2(4(8)9)1-3(6)7/h3H,1H2.
What are the key properties of 2-chloro-1,1,4,4-tetrafluorobut-1-ene?
2-chloro-1,1,4,4-tetrafluorobut-1-ene has a molecular weight of 162.51 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,4,4-tetrafluorobut-1-ene is sourced from PubChem (CID 87404344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).