2-bromo-2,3,3,3-tetrafluoropropan-1-ol

C3H3BrF4O — CID 13327478

IUPAC2-bromo-2,3,3,3-tetrafluoropropan-1-ol
SMILESOCC(F)(Br)C(F)(F)F
InChIInChI=1S/C3H3BrF4O/c4-2(5,1-9)3(6,7)8/h9H,1H2
InChIKeySDKKMHPZNMQINR-UHFFFAOYSA-N
MW210.95 g/mol
LogP1.60
Rot. Bonds1

About 2-bromo-2,3,3,3-tetrafluoropropan-1-ol

2-bromo-2,3,3,3-tetrafluoropropan-1-ol (PubChem CID 13327478) has the molecular formula C3H3BrF4O and a molecular weight of 210.95 g/mol. Its IUPAC name is 2-bromo-2,3,3,3-tetrafluoropropan-1-ol.

Molecular Properties

Compound Name2-bromo-2,3,3,3-tetrafluoropropan-1-ol
PubChem CID13327478
Molecular FormulaC3H3BrF4O
Molecular Weight210.95 g/mol
Exact Mass209.93
IUPAC Name2-bromo-2,3,3,3-tetrafluoropropan-1-ol
SMILESOCC(F)(Br)C(F)(F)F
InChIInChI=1S/C3H3BrF4O/c4-2(5,1-9)3(6,7)8/h9H,1H2
InChIKeySDKKMHPZNMQINR-UHFFFAOYSA-N
XLogP1.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.95
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,3,3,3-tetrafluoropropan-1-ol?
The IUPAC name of 2-bromo-2,3,3,3-tetrafluoropropan-1-ol (CID 13327478) is 2-bromo-2,3,3,3-tetrafluoropropan-1-ol.
What is the SMILES notation for 2-bromo-2,3,3,3-tetrafluoropropan-1-ol?
The canonical SMILES for 2-bromo-2,3,3,3-tetrafluoropropan-1-ol is OCC(F)(Br)C(F)(F)F.
What is the InChIKey of 2-bromo-2,3,3,3-tetrafluoropropan-1-ol?
The InChIKey is SDKKMHPZNMQINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrF4O/c4-2(5,1-9)3(6,7)8/h9H,1H2.
What are the key properties of 2-bromo-2,3,3,3-tetrafluoropropan-1-ol?
2-bromo-2,3,3,3-tetrafluoropropan-1-ol has a molecular weight of 210.95 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,3,3,3-tetrafluoropropan-1-ol is sourced from PubChem (CID 13327478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).