3-bromo-1,2,3-trifluoroprop-1-ene

C3H2BrF3 — CID 173452706

IUPAC3-bromo-1,2,3-trifluoroprop-1-ene
SMILESFC=C(F)C(F)Br
InChIInChI=1S/C3H2BrF3/c4-3(7)2(6)1-5/h1,3H
InChIKeyUXWKNHGJKFWNAR-UHFFFAOYSA-N
MW174.95 g/mol
LogP2.46
Rot. Bonds1

About 3-bromo-1,2,3-trifluoroprop-1-ene

3-bromo-1,2,3-trifluoroprop-1-ene (PubChem CID 173452706) has the molecular formula C3H2BrF3 and a molecular weight of 174.95 g/mol. Its IUPAC name is 3-bromo-1,2,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name3-bromo-1,2,3-trifluoroprop-1-ene
PubChem CID173452706
Molecular FormulaC3H2BrF3
Molecular Weight174.95 g/mol
Exact Mass173.93
IUPAC Name3-bromo-1,2,3-trifluoroprop-1-ene
SMILESFC=C(F)C(F)Br
InChIInChI=1S/C3H2BrF3/c4-3(7)2(6)1-5/h1,3H
InChIKeyUXWKNHGJKFWNAR-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.95
LogP ≤ 52.46
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

3-chloro-1,2,3-trifluoroprop-1-ene
CID 54378571
(Z)-1,2,3,4,4-pentafluorobut-1-ene
CID 21096869
1,2,3-trifluoroprop-2-ene-1-sulfonic acid
CID 173093904
1,2,3,4,5,5-hexafluoropenta-1,3-diene
CID 154049218
1,2,3-trifluorocyclopropene;1,2,3-trifluoroprop-2-en-1-ol
CID 175557925
3-bromo-1,1,3-trifluoroprop-1-ene
CID 88814074
1,2,3-trifluoroprop-2-enyl prop-2-enoate
CID 173408929
dibromozinc;1,1,2-trifluoroethene
CID 175263935
3-ethoxy-1,2-difluorobut-1-ene
CID 74037990
(E)-2,3,3-trifluoroprop-1-en-1-ol
CID 88605986
1-bromo-2,2-difluoroethanol
CID 87083635
1,1,2-trifluoroethene;hydrate;hydrochloride
CID 172684110

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,2,3-trifluoroprop-1-ene?
The IUPAC name of 3-bromo-1,2,3-trifluoroprop-1-ene (CID 173452706) is 3-bromo-1,2,3-trifluoroprop-1-ene.
What is the SMILES notation for 3-bromo-1,2,3-trifluoroprop-1-ene?
The canonical SMILES for 3-bromo-1,2,3-trifluoroprop-1-ene is FC=C(F)C(F)Br.
What is the InChIKey of 3-bromo-1,2,3-trifluoroprop-1-ene?
The InChIKey is UXWKNHGJKFWNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrF3/c4-3(7)2(6)1-5/h1,3H.
What are the key properties of 3-bromo-1,2,3-trifluoroprop-1-ene?
3-bromo-1,2,3-trifluoroprop-1-ene has a molecular weight of 174.95 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,2,3-trifluoroprop-1-ene is sourced from PubChem (CID 173452706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).