butan-1-amine;hydron;hexafluorophosphate

C4H12F6NP — CID 174702640

IUPACbutan-1-amine;hydron;hexafluorophosphate
SMILESCCCCN.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C4H11N.F6P/c1-2-3-4-5;1-7(2,3,4,5)6/h2-5H2,1H3;/q;-1/p+1
InChIKeyHUBUHUYYVQTHGI-UHFFFAOYSA-O
MW219.11 g/mol
LogP4.24
Rot. Bonds2

About butan-1-amine;hydron;hexafluorophosphate

butan-1-amine;hydron;hexafluorophosphate (PubChem CID 174702640) has the molecular formula C4H12F6NP and a molecular weight of 219.11 g/mol. Its IUPAC name is butan-1-amine;hydron;hexafluorophosphate.

Molecular Properties

Compound Namebutan-1-amine;hydron;hexafluorophosphate
PubChem CID174702640
Molecular FormulaC4H12F6NP
Molecular Weight219.11 g/mol
Exact Mass219.06
IUPAC Namebutan-1-amine;hydron;hexafluorophosphate
SMILESCCCCN.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C4H11N.F6P/c1-2-3-4-5;1-7(2,3,4,5)6/h2-5H2,1H3;/q;-1/p+1
InChIKeyHUBUHUYYVQTHGI-UHFFFAOYSA-O
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 159237160
CID 159237160
tris(butan-1-amine);methylsilane
CID 161377074
azane;butan-1-amine;ethane;hydrate
CID 159979344
butan-1-amine;dodecan-1-amine
CID 158532895
dodecakis(butan-1-amine);fluorophosphonous acid
CID 173225344
butan-1-amine;dichlorogermane
CID 174998668
tetrakis(butan-1-amine);tetraiodoplumbane
CID 170458283
hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride
CID 174488039
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;hydron;hexafluorophosphate?
The IUPAC name of butan-1-amine;hydron;hexafluorophosphate (CID 174702640) is butan-1-amine;hydron;hexafluorophosphate.
What is the SMILES notation for butan-1-amine;hydron;hexafluorophosphate?
The canonical SMILES for butan-1-amine;hydron;hexafluorophosphate is CCCCN.F[P-](F)(F)(F)(F)F.[H+].
What is the InChIKey of butan-1-amine;hydron;hexafluorophosphate?
The InChIKey is HUBUHUYYVQTHGI-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N.F6P/c1-2-3-4-5;1-7(2,3,4,5)6/h2-5H2,1H3;/q;-1/p+1.
What are the key properties of butan-1-amine;hydron;hexafluorophosphate?
butan-1-amine;hydron;hexafluorophosphate has a molecular weight of 219.11 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;hydron;hexafluorophosphate is sourced from PubChem (CID 174702640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).