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

C3BrCl2F3 — CID 154220491

IUPAC2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene
SMILESFC(F)(F)C(Br)=C(Cl)Cl
InChIInChI=1S/C3BrCl2F3/c4-1(2(5)6)3(7,8)9
InChIKeyINHHQDKOJDIJPV-UHFFFAOYSA-N
MW243.84 g/mol
LogP3.59
Rot. Bonds

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

2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene (PubChem CID 154220491) has the molecular formula C3BrCl2F3 and a molecular weight of 243.84 g/mol. Its IUPAC name is 2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene
PubChem CID154220491
Molecular FormulaC3BrCl2F3
Molecular Weight243.84 g/mol
Exact Mass241.85
IUPAC Name2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene
SMILESFC(F)(F)C(Br)=C(Cl)Cl
InChIInChI=1S/C3BrCl2F3/c4-1(2(5)6)3(7,8)9
InChIKeyINHHQDKOJDIJPV-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.84
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene
CID 23234723
CID 14849495
CID 14849495
2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene
CID 14221296
CID 158920059
CID 158920059
(E)-1,2-dibromo-3,3,3-trifluoroprop-1-ene
CID 11658898
1,2-dichloro-3,3,3-trifluoroprop-1-ene
CID 521135
(Z)-1,2-dichloro-3,3,3-trifluoroprop-1-ene
CID 5371734
3-chloro-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
CID 7147675
1,1,2,3,4,4-hexachlorobuta-1,3-diene;1,1,1,2,2,2-hexachloroethane
CID 160669279
2-chloro-1,1,1,4,4,4-hexafluoro-3-methylbut-2-ene
CID 54404370
2-chloro-1,1,1,3-tetrafluorobut-2-ene
CID 53395469
1-bromo-1,3,4,4-tetrachloro-2-nitrobuta-1,3-diene
CID 131843930

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene (CID 154220491) is 2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene is FC(F)(F)C(Br)=C(Cl)Cl.
What is the InChIKey of 2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene?
The InChIKey is INHHQDKOJDIJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3BrCl2F3/c4-1(2(5)6)3(7,8)9.
What are the key properties of 2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene?
2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene has a molecular weight of 243.84 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 154220491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).