[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride

C6H15ClFN — CID 135056424

IUPAC[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride
SMILESCC(C)(C)[C@H]([NH3+])CF.[Cl-]
InChIInChI=1S/C6H14FN.ClH/c1-6(2,3)5(8)4-7;/h5H,4,8H2,1-3H3;1H/t5-;/m1./s1
InChIKeyQNPFAJPALFGGCY-NUBCRITNSA-N
MW155.64 g/mol
LogP-2.38
Rot. Bonds1

About [(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride

[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride (PubChem CID 135056424) has the molecular formula C6H15ClFN and a molecular weight of 155.64 g/mol. Its IUPAC name is [(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride
PubChem CID135056424
Molecular FormulaC6H15ClFN
Molecular Weight155.64 g/mol
Exact Mass155.09
IUPAC Name[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride
SMILESCC(C)(C)[C@H]([NH3+])CF.[Cl-]
InChIInChI=1S/C6H14FN.ClH/c1-6(2,3)5(8)4-7;/h5H,4,8H2,1-3H3;1H/t5-;/m1./s1
InChIKeyQNPFAJPALFGGCY-NUBCRITNSA-N
XLogP-2.38
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.64
LogP ≤ 5-2.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(1,3-difluoro-2-methylpropan-2-yl)azanium chloride
CID 10964646
1,1,1-trifluoroethane;1,1,2-trifluoroethane
CID 157050419
1,3,3-trifluoro-2-(fluoromethyl)butane
CID 13207097
tert-butylphosphanium chloride
CID 23318676
1,1,1-trifluoroethane trichloride
CID 159910186
2,3,3-trimethylbutane-1-sulfonyl fluoride
CID 115016219
2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine
CID 143855186
1-fluoro-2,2-dimethylpropan-1-amine
CID 88688039
2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
CID 158433518
[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride
CID 10654979
(2S)-2-(tert-butyldisulfanyl)-1-fluoro-3-methylbutane
CID 155048528
1,1,1-trifluoro-4,5,5-trimethylhexan-2-ol
CID 155261760

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride?
The IUPAC name of [(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride (CID 135056424) is [(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride.
What is the SMILES notation for [(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride?
The canonical SMILES for [(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride is CC(C)(C)[C@H]([NH3+])CF.[Cl-].
What is the InChIKey of [(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride?
The InChIKey is QNPFAJPALFGGCY-NUBCRITNSA-N. The full InChI is InChI=1S/C6H14FN.ClH/c1-6(2,3)5(8)4-7;/h5H,4,8H2,1-3H3;1H/t5-;/m1./s1.
What are the key properties of [(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride?
[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride has a molecular weight of 155.64 g/mol, XLogP of -2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride is sourced from PubChem (CID 135056424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).