fluorophosphonic acid;hexane;hydrobromide

C6H17BrFO3P — CID 175894647

IUPACfluorophosphonic acid;hexane;hydrobromide
SMILESBr.CCCCCC.O=P(O)(O)F
InChIInChI=1S/C6H14.BrH.FH2O3P/c1-3-5-6-4-2;;1-5(2,3)4/h3-6H2,1-2H3;1H;(H2,2,3,4)
InChIKeyBIPHTYAOTUGKSJ-UHFFFAOYSA-N
MW267.07 g/mol
LogP3.21
Rot. Bonds3

About fluorophosphonic acid;hexane;hydrobromide

fluorophosphonic acid;hexane;hydrobromide (PubChem CID 175894647) has the molecular formula C6H17BrFO3P and a molecular weight of 267.07 g/mol. Its IUPAC name is fluorophosphonic acid;hexane;hydrobromide.

Molecular Properties

Compound Namefluorophosphonic acid;hexane;hydrobromide
PubChem CID175894647
Molecular FormulaC6H17BrFO3P
Molecular Weight267.07 g/mol
Exact Mass266.01
IUPAC Namefluorophosphonic acid;hexane;hydrobromide
SMILESBr.CCCCCC.O=P(O)(O)F
InChIInChI=1S/C6H14.BrH.FH2O3P/c1-3-5-6-4-2;;1-5(2,3)4/h3-6H2,1-2H3;1H;(H2,2,3,4)
InChIKeyBIPHTYAOTUGKSJ-UHFFFAOYSA-N
XLogP3.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethane;henicosane;phosphoric acid;hydrate
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cyclohexane;phosphoric acid;bis(tetradecane)
CID 175142531
N,N-dibutylbutan-1-amine;difluorophosphinic acid
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decane;phosphono dihydrogen phosphate
CID 157375636
azane;pentylphosphonic acid
CID 173073704
disodium;dodecane;hydrogen phosphate;hydrate
CID 172768251
heptadecan-1-ol;phosphoric acid
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hexylphosphonic acid;octylphosphonic acid
CID 155346901

Frequently Asked Questions

What is the IUPAC name of fluorophosphonic acid;hexane;hydrobromide?
The IUPAC name of fluorophosphonic acid;hexane;hydrobromide (CID 175894647) is fluorophosphonic acid;hexane;hydrobromide.
What is the SMILES notation for fluorophosphonic acid;hexane;hydrobromide?
The canonical SMILES for fluorophosphonic acid;hexane;hydrobromide is Br.CCCCCC.O=P(O)(O)F.
What is the InChIKey of fluorophosphonic acid;hexane;hydrobromide?
The InChIKey is BIPHTYAOTUGKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.BrH.FH2O3P/c1-3-5-6-4-2;;1-5(2,3)4/h3-6H2,1-2H3;1H;(H2,2,3,4).
What are the key properties of fluorophosphonic acid;hexane;hydrobromide?
fluorophosphonic acid;hexane;hydrobromide has a molecular weight of 267.07 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluorophosphonic acid;hexane;hydrobromide is sourced from PubChem (CID 175894647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).