(2R)-2-bromo-1,1,1-trifluoro-2-iodopropane

C3H3BrF3I — CID 95757028

IUPAC(2R)-2-bromo-1,1,1-trifluoro-2-iodopropane
SMILESC[C@@](Br)(I)C(F)(F)F
InChIInChI=1S/C3H3BrF3I/c1-2(4,8)3(5,6)7/h1H3/t2-/m1/s1
InChIKeyPNBKFOZWPOGRCA-UWTATZPHSA-N
MW302.86 g/mol
LogP3.09
Rot. Bonds

About (2R)-2-bromo-1,1,1-trifluoro-2-iodopropane

(2R)-2-bromo-1,1,1-trifluoro-2-iodopropane (PubChem CID 95757028) has the molecular formula C3H3BrF3I and a molecular weight of 302.86 g/mol. Its IUPAC name is (2R)-2-bromo-1,1,1-trifluoro-2-iodopropane.

Molecular Properties

Compound Name(2R)-2-bromo-1,1,1-trifluoro-2-iodopropane
PubChem CID95757028
Molecular FormulaC3H3BrF3I
Molecular Weight302.86 g/mol
Exact Mass301.84
IUPAC Name(2R)-2-bromo-1,1,1-trifluoro-2-iodopropane
SMILESC[C@@](Br)(I)C(F)(F)F
InChIInChI=1S/C3H3BrF3I/c1-2(4,8)3(5,6)7/h1H3/t2-/m1/s1
InChIKeyPNBKFOZWPOGRCA-UWTATZPHSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.86
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trifluoro(iodo)methane;zinc
CID 88708055
1-bromo-1,1,3,3,3-pentafluoro-2-iodo-2-(trifluoromethyl)propane
CID 22613612
1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane
CID 175096887
1-bromo-1-chloro-1-iodoethane
CID 90333243
1-bromo-1-chloro-1-fluoroethane
CID 57450899
1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane
CID 158764810
1-bromo-1,1,2,2,3,4,4,4-octafluoro-3-iodobutane
CID 175577524
1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-6-methylheptane
CID 153324351
1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
2,2-difluoropropane
CID 160894634
(2S)-2-fluoro-1,2-diiodopropane
CID 173497800

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-1,1,1-trifluoro-2-iodopropane?
The IUPAC name of (2R)-2-bromo-1,1,1-trifluoro-2-iodopropane (CID 95757028) is (2R)-2-bromo-1,1,1-trifluoro-2-iodopropane.
What is the SMILES notation for (2R)-2-bromo-1,1,1-trifluoro-2-iodopropane?
The canonical SMILES for (2R)-2-bromo-1,1,1-trifluoro-2-iodopropane is C[C@@](Br)(I)C(F)(F)F.
What is the InChIKey of (2R)-2-bromo-1,1,1-trifluoro-2-iodopropane?
The InChIKey is PNBKFOZWPOGRCA-UWTATZPHSA-N. The full InChI is InChI=1S/C3H3BrF3I/c1-2(4,8)3(5,6)7/h1H3/t2-/m1/s1.
What are the key properties of (2R)-2-bromo-1,1,1-trifluoro-2-iodopropane?
(2R)-2-bromo-1,1,1-trifluoro-2-iodopropane has a molecular weight of 302.86 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-1,1,1-trifluoro-2-iodopropane is sourced from PubChem (CID 95757028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).