1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite

C3HBrF6O — CID 172868430

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite
SMILESFC(F)(F)C(OBr)C(F)(F)F
InChIInChI=1S/C3HBrF6O/c4-11-1(2(5,6)7)3(8,9)10/h1H
InChIKeyMBTMBEAQBHKBLH-UHFFFAOYSA-N
MW246.93 g/mol
LogP2.81
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite

1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite (PubChem CID 172868430) has the molecular formula C3HBrF6O and a molecular weight of 246.93 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite
PubChem CID172868430
Molecular FormulaC3HBrF6O
Molecular Weight246.93 g/mol
Exact Mass245.91
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite
SMILESFC(F)(F)C(OBr)C(F)(F)F
InChIInChI=1S/C3HBrF6O/c4-11-1(2(5,6)7)3(8,9)10/h1H
InChIKeyMBTMBEAQBHKBLH-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.93
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfanyloxy)propane
CID 13418963
sodium tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)boranuide
CID 132774229
1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane
CID 18413317
2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol
CID 86050515
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite
CID 158318190
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate
CID 10959380
1,1,1,3,3,3-hexafluoropropan-2-yloxy(dimethyl)phosphane
CID 12501807
1-bromo-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butane
CID 102722024
1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy(trimethyl)silane
CID 71695730
1-deuterio-1,1,2,2,2-pentafluoroethane
CID 59129850
(2S,3S)-2,3-dibromo-1,1,1,4,4,4-hexafluorobutane
CID 97291901
1,1,1,3,3,3-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)propane
CID 11522280

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite (CID 172868430) is 1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite is FC(F)(F)C(OBr)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite?
The InChIKey is MBTMBEAQBHKBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBrF6O/c4-11-1(2(5,6)7)3(8,9)10/h1H.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite?
1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite has a molecular weight of 246.93 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite is sourced from PubChem (CID 172868430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).