3-bromo-4,4,4-trifluorobut-2-en-1-ol

C4H4BrF3O — CID 54370084

IUPAC3-bromo-4,4,4-trifluorobut-2-en-1-ol
SMILESOCC=C(Br)C(F)(F)F
InChIInChI=1S/C4H4BrF3O/c5-3(1-2-9)4(6,7)8/h1,9H,2H2
InChIKeyCCCCAGTYTPEIPC-UHFFFAOYSA-N
MW204.97 g/mol
LogP1.82
Rot. Bonds1

About 3-bromo-4,4,4-trifluorobut-2-en-1-ol

3-bromo-4,4,4-trifluorobut-2-en-1-ol (PubChem CID 54370084) has the molecular formula C4H4BrF3O and a molecular weight of 204.97 g/mol. Its IUPAC name is 3-bromo-4,4,4-trifluorobut-2-en-1-ol.

Molecular Properties

Compound Name3-bromo-4,4,4-trifluorobut-2-en-1-ol
PubChem CID54370084
Molecular FormulaC4H4BrF3O
Molecular Weight204.97 g/mol
Exact Mass203.94
IUPAC Name3-bromo-4,4,4-trifluorobut-2-en-1-ol
SMILESOCC=C(Br)C(F)(F)F
InChIInChI=1S/C4H4BrF3O/c5-3(1-2-9)4(6,7)8/h1,9H,2H2
InChIKeyCCCCAGTYTPEIPC-UHFFFAOYSA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.97
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,4,4-trifluorobut-2-en-1-ol?
The IUPAC name of 3-bromo-4,4,4-trifluorobut-2-en-1-ol (CID 54370084) is 3-bromo-4,4,4-trifluorobut-2-en-1-ol.
What is the SMILES notation for 3-bromo-4,4,4-trifluorobut-2-en-1-ol?
The canonical SMILES for 3-bromo-4,4,4-trifluorobut-2-en-1-ol is OCC=C(Br)C(F)(F)F.
What is the InChIKey of 3-bromo-4,4,4-trifluorobut-2-en-1-ol?
The InChIKey is CCCCAGTYTPEIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrF3O/c5-3(1-2-9)4(6,7)8/h1,9H,2H2.
What are the key properties of 3-bromo-4,4,4-trifluorobut-2-en-1-ol?
3-bromo-4,4,4-trifluorobut-2-en-1-ol has a molecular weight of 204.97 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,4,4-trifluorobut-2-en-1-ol is sourced from PubChem (CID 54370084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).