1,1,1,2,2,3,3-heptafluoropropane;hydrobromide

C3H2BrF7 — CID 175862099

IUPAC1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
SMILESBr.FC(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7.BrH/c4-1(5)2(6,7)3(8,9)10;/h1H;1H
InChIKeyQUQIJCFHYPPFAU-UHFFFAOYSA-N
MW250.94 g/mol
LogP3.03
Rot. Bonds1

About 1,1,1,2,2,3,3-heptafluoropropane;hydrobromide

1,1,1,2,2,3,3-heptafluoropropane;hydrobromide (PubChem CID 175862099) has the molecular formula C3H2BrF7 and a molecular weight of 250.94 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoropropane;hydrobromide.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
PubChem CID175862099
Molecular FormulaC3H2BrF7
Molecular Weight250.94 g/mol
Exact Mass249.92
IUPAC Name1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
SMILESBr.FC(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7.BrH/c4-1(5)2(6,7)3(8,9)10;/h1H;1H
InChIKeyQUQIJCFHYPPFAU-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.94
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3-heptafluoropropane;hydrobromide 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

1,1,1,2,2,3,3-heptafluoropropane;methane
CID 158693034
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
CID 158268992
CID 172837284
CID 172837284
trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane
CID 174966166
sodium;hydride;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
CID 173105318
1,1,2,2,3,3,4,4-octafluorobutylsilane
CID 175217850
chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane
CID 160658903
1,1,1,2,2,3-hexafluoro-3-(1,2,2,3,3-pentafluoropropoxy)propane
CID 175373279
N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide
CID 90745791
1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol
CID 174974760
(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane
CID 97291038
1,1,2,2,3,3-hexafluoro-N,N-bis(trifluoromethyl)propan-1-amine
CID 130272456

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoropropane;hydrobromide?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoropropane;hydrobromide (CID 175862099) is 1,1,1,2,2,3,3-heptafluoropropane;hydrobromide.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoropropane;hydrobromide?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoropropane;hydrobromide is Br.FC(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoropropane;hydrobromide?
The InChIKey is QUQIJCFHYPPFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7.BrH/c4-1(5)2(6,7)3(8,9)10;/h1H;1H.
What are the key properties of 1,1,1,2,2,3,3-heptafluoropropane;hydrobromide?
1,1,1,2,2,3,3-heptafluoropropane;hydrobromide has a molecular weight of 250.94 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoropropane;hydrobromide is sourced from PubChem (CID 175862099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).