N,N-dibutylbutan-1-amine;difluorophosphinic acid

C12H28F2NO2P — CID 130422664

IUPACN,N-dibutylbutan-1-amine;difluorophosphinic acid
SMILESCCCCN(CCCC)CCCC.O=P(O)(F)F
InChIInChI=1S/C12H27N.F2HO2P/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-5(2,3)4/h4-12H2,1-3H3;(H,3,4)
InChIKeyOVXWCBWSSQYOPK-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.71
Rot. Bonds9

About N,N-dibutylbutan-1-amine;difluorophosphinic acid

N,N-dibutylbutan-1-amine;difluorophosphinic acid (PubChem CID 130422664) has the molecular formula C12H28F2NO2P and a molecular weight of 287.33 g/mol. Its IUPAC name is N,N-dibutylbutan-1-amine;difluorophosphinic acid.

Molecular Properties

Compound NameN,N-dibutylbutan-1-amine;difluorophosphinic acid
PubChem CID130422664
Molecular FormulaC12H28F2NO2P
Molecular Weight287.33 g/mol
Exact Mass287.18
IUPAC NameN,N-dibutylbutan-1-amine;difluorophosphinic acid
SMILESCCCCN(CCCC)CCCC.O=P(O)(F)F
InChIInChI=1S/C12H27N.F2HO2P/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-5(2,3)4/h4-12H2,1-3H3;(H,3,4)
InChIKeyOVXWCBWSSQYOPK-UHFFFAOYSA-N
XLogP4.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nonakis(N,N-dibutylbutan-1-amine);phosphoric acid
CID 173155970
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
tris(N-butyl-N-fluorobutan-1-amine);phosphoric acid
CID 175403911
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
4-(dibutylamino)-2-methylbutan-2-ol
CID 79361308
tetrakis(N,N-dioctyloctan-1-amine);phosphono dihydrogen phosphate
CID 173362239
boric acid;bis(N,N-dibutylbutan-1-amine)
CID 172841761
fluorophosphonic acid;hexane;hydrobromide
CID 175894647
2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate
CID 58758794
N,N-dibutylbutan-1-amine;propanoic acid
CID 173098736

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutan-1-amine;difluorophosphinic acid?
The IUPAC name of N,N-dibutylbutan-1-amine;difluorophosphinic acid (CID 130422664) is N,N-dibutylbutan-1-amine;difluorophosphinic acid.
What is the SMILES notation for N,N-dibutylbutan-1-amine;difluorophosphinic acid?
The canonical SMILES for N,N-dibutylbutan-1-amine;difluorophosphinic acid is CCCCN(CCCC)CCCC.O=P(O)(F)F.
What is the InChIKey of N,N-dibutylbutan-1-amine;difluorophosphinic acid?
The InChIKey is OVXWCBWSSQYOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.F2HO2P/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-5(2,3)4/h4-12H2,1-3H3;(H,3,4).
What are the key properties of N,N-dibutylbutan-1-amine;difluorophosphinic acid?
N,N-dibutylbutan-1-amine;difluorophosphinic acid has a molecular weight of 287.33 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbutan-1-amine;difluorophosphinic acid is sourced from PubChem (CID 130422664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).