4-chloro-3,3,4,4-tetrafluorobut-1-ene

C4H3ClF4 — CID 87213496

IUPAC4-chloro-3,3,4,4-tetrafluorobut-1-ene
SMILESC=CC(F)(F)C(F)(F)Cl
InChIInChI=1S/C4H3ClF4/c1-2-3(6,7)4(5,8)9/h2H,1H2
InChIKeyJWSBAEXKBWIHSJ-UHFFFAOYSA-N
MW162.51 g/mol
LogP2.64
Rot. Bonds2

About 4-chloro-3,3,4,4-tetrafluorobut-1-ene

4-chloro-3,3,4,4-tetrafluorobut-1-ene (PubChem CID 87213496) has the molecular formula C4H3ClF4 and a molecular weight of 162.51 g/mol. Its IUPAC name is 4-chloro-3,3,4,4-tetrafluorobut-1-ene.

Molecular Properties

Compound Name4-chloro-3,3,4,4-tetrafluorobut-1-ene
PubChem CID87213496
Molecular FormulaC4H3ClF4
Molecular Weight162.51 g/mol
Exact Mass161.99
IUPAC Name4-chloro-3,3,4,4-tetrafluorobut-1-ene
SMILESC=CC(F)(F)C(F)(F)Cl
InChIInChI=1S/C4H3ClF4/c1-2-3(6,7)4(5,8)9/h2H,1H2
InChIKeyJWSBAEXKBWIHSJ-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
CID 2736661
2-Chloro-3,3,4,4,4-pentafluorobut-1-ene
CID 87213415
3-Chloro-3,4,4-trifluorocyclobutene
CID 19387489
3-Chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene
CID 134873275
5-Chloro-4,4,5,5-tetrafluoropenta-1,2-diene
CID 14816568
3,4-Dichloro-3,4,4-trifluorobut-1-ene
CID 2782511
3-[Chloro(difluoro)methyl]-3,4,4,4-tetrafluorobut-1-ene
CID 12829405
(Z)-1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene
CID 18915998
(E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
CID 21459299
3-Chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
CID 54510957
1,3,4-Trichloro-1,3,4,4-tetrafluorobut-1-ene
CID 56977425
5-Chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene
CID 87106570

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,3,4,4-tetrafluorobut-1-ene?
The IUPAC name of 4-chloro-3,3,4,4-tetrafluorobut-1-ene (CID 87213496) is 4-chloro-3,3,4,4-tetrafluorobut-1-ene.
What is the SMILES notation for 4-chloro-3,3,4,4-tetrafluorobut-1-ene?
The canonical SMILES for 4-chloro-3,3,4,4-tetrafluorobut-1-ene is C=CC(F)(F)C(F)(F)Cl.
What is the InChIKey of 4-chloro-3,3,4,4-tetrafluorobut-1-ene?
The InChIKey is JWSBAEXKBWIHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF4/c1-2-3(6,7)4(5,8)9/h2H,1H2.
What are the key properties of 4-chloro-3,3,4,4-tetrafluorobut-1-ene?
4-chloro-3,3,4,4-tetrafluorobut-1-ene has a molecular weight of 162.51 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,3,4,4-tetrafluorobut-1-ene is sourced from PubChem (CID 87213496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).