1,1,3-tribromo-1,2,2,3,3-pentafluoropropane

C3Br3F5 — CID 15186175

IUPAC1,1,3-tribromo-1,2,2,3,3-pentafluoropropane
SMILESFC(F)(Br)C(F)(F)C(F)(Br)Br
InChIInChI=1S/C3Br3F5/c4-2(5,9)1(7,8)3(6,10)11
InChIKeySBBHMWCPPPDEME-UHFFFAOYSA-N
MW370.74 g/mol
LogP4.02
Rot. Bonds2

About 1,1,3-tribromo-1,2,2,3,3-pentafluoropropane

1,1,3-tribromo-1,2,2,3,3-pentafluoropropane (PubChem CID 15186175) has the molecular formula C3Br3F5 and a molecular weight of 370.74 g/mol. Its IUPAC name is 1,1,3-tribromo-1,2,2,3,3-pentafluoropropane.

Molecular Properties

Compound Name1,1,3-tribromo-1,2,2,3,3-pentafluoropropane
PubChem CID15186175
Molecular FormulaC3Br3F5
Molecular Weight370.74 g/mol
Exact Mass367.75
IUPAC Name1,1,3-tribromo-1,2,2,3,3-pentafluoropropane
SMILESFC(F)(Br)C(F)(F)C(F)(Br)Br
InChIInChI=1S/C3Br3F5/c4-2(5,9)1(7,8)3(6,10)11
InChIKeySBBHMWCPPPDEME-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.74
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,6-dibromo-1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluorohexadecane
CID 152609331
1-bromo-1,1,2,2,3,4,4,4-octafluoro-3-iodobutane
CID 175577524
1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane
CID 139890181
1,5-dibromo-3,3-dichloro-1,1,2,2-tetrafluoropentane
CID 119097133
1,2-dibromo-1,1-dichloro-2,2-difluoroethane
CID 2773960
1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane
CID 158764810
5-bromo-3,3,4,4,5,5-hexafluoropentanoic acid
CID 57367966
1-bromo-3-[2-[bromo(difluoro)methoxy]-1,1,2,2-tetrafluoroethyl]peroxy-1,1,2,2,3,3-hexafluoropropane
CID 71437009
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652

Frequently Asked Questions

What is the IUPAC name of 1,1,3-tribromo-1,2,2,3,3-pentafluoropropane?
The IUPAC name of 1,1,3-tribromo-1,2,2,3,3-pentafluoropropane (CID 15186175) is 1,1,3-tribromo-1,2,2,3,3-pentafluoropropane.
What is the SMILES notation for 1,1,3-tribromo-1,2,2,3,3-pentafluoropropane?
The canonical SMILES for 1,1,3-tribromo-1,2,2,3,3-pentafluoropropane is FC(F)(Br)C(F)(F)C(F)(Br)Br.
What is the InChIKey of 1,1,3-tribromo-1,2,2,3,3-pentafluoropropane?
The InChIKey is SBBHMWCPPPDEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Br3F5/c4-2(5,9)1(7,8)3(6,10)11.
What are the key properties of 1,1,3-tribromo-1,2,2,3,3-pentafluoropropane?
1,1,3-tribromo-1,2,2,3,3-pentafluoropropane has a molecular weight of 370.74 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-tribromo-1,2,2,3,3-pentafluoropropane is sourced from PubChem (CID 15186175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).