3-chloro-1,1,3,3-tetrafluoroprop-1-ene

C3HClF4 — CID 521001

IUPAC3-chloro-1,1,3,3-tetrafluoroprop-1-ene
SMILESFC(F)=CC(F)(F)Cl
InChIInChI=1S/C3HClF4/c4-3(7,8)1-2(5)6/h1H
InChIKeyAYXCWSNLDUYPCX-UHFFFAOYSA-N
MW148.49 g/mol
LogP2.60
Rot. Bonds1

About 3-chloro-1,1,3,3-tetrafluoroprop-1-ene

3-chloro-1,1,3,3-tetrafluoroprop-1-ene (PubChem CID 521001) has the molecular formula C3HClF4 and a molecular weight of 148.49 g/mol. Its IUPAC name is 3-chloro-1,1,3,3-tetrafluoroprop-1-ene.

Molecular Properties

Compound Name3-chloro-1,1,3,3-tetrafluoroprop-1-ene
PubChem CID521001
Molecular FormulaC3HClF4
Molecular Weight148.49 g/mol
Exact Mass147.97
IUPAC Name3-chloro-1,1,3,3-tetrafluoroprop-1-ene
SMILESFC(F)=CC(F)(F)Cl
InChIInChI=1S/C3HClF4/c4-3(7,8)1-2(5)6/h1H
InChIKeyAYXCWSNLDUYPCX-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.49
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-3,3,3-trifluoroprop-1-ene
CID 2736716
2-Chloro-1,1,1,4,4,4-hexafluoro-2-butene, (2Z)-
CID 5371687
1-Chloro-1,3,3,3-tetrafluoro-1-propene
CID 2782297
3-Chloro-3,3-difluoroprop-1-ene
CID 18364514
2-Chloro-1,1,1,4,4,4-hexafluoro-2-butene, (2E)-
CID 10878139
1-Chloro-1,2,2-trifluoroethene;1,1-difluoroethene;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 168286
2-Chloro-1,1,3,3-tetrafluoro-1-propene
CID 85791342
2-Chloro-1,1,1,4,4,4-hexafluoro-2-butene
CID 9815
3-Chloro-2,3,3-trifluoroprop-1-ene
CID 87496404
(Z)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene
CID 155169668
2-Chloro-1,1,1,4-tetrafluorobut-2-ene
CID 2773836
2-Chloro-1,1,1,4-tetrafluoro-2-butene
CID 5708410

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1,3,3-tetrafluoroprop-1-ene?
The IUPAC name of 3-chloro-1,1,3,3-tetrafluoroprop-1-ene (CID 521001) is 3-chloro-1,1,3,3-tetrafluoroprop-1-ene.
What is the SMILES notation for 3-chloro-1,1,3,3-tetrafluoroprop-1-ene?
The canonical SMILES for 3-chloro-1,1,3,3-tetrafluoroprop-1-ene is FC(F)=CC(F)(F)Cl.
What is the InChIKey of 3-chloro-1,1,3,3-tetrafluoroprop-1-ene?
The InChIKey is AYXCWSNLDUYPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClF4/c4-3(7,8)1-2(5)6/h1H.
What are the key properties of 3-chloro-1,1,3,3-tetrafluoroprop-1-ene?
3-chloro-1,1,3,3-tetrafluoroprop-1-ene has a molecular weight of 148.49 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1,3,3-tetrafluoroprop-1-ene is sourced from PubChem (CID 521001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).