1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride

C4H6ClF6N — CID 131874730

IUPAC1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride
SMILESCC(N)(C(F)(F)F)C(F)(F)F.Cl
InChIInChI=1S/C4H5F6N.ClH/c1-2(11,3(5,6)7)4(8,9)10;/h11H2,1H3;1H
InChIKeyGRNGEYQTJPGMEE-UHFFFAOYSA-N
MW217.54 g/mol
LogP2.25
Rot. Bonds

About 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride

1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride (PubChem CID 131874730) has the molecular formula C4H6ClF6N and a molecular weight of 217.54 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride
PubChem CID131874730
Molecular FormulaC4H6ClF6N
Molecular Weight217.54 g/mol
Exact Mass217.01
IUPAC Name1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride
SMILESCC(N)(C(F)(F)F)C(F)(F)F.Cl
InChIInChI=1S/C4H5F6N.ClH/c1-2(11,3(5,6)7)4(8,9)10;/h11H2,1H3;1H
InChIKeyGRNGEYQTJPGMEE-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.54
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2-methylpropan-2-amine);dihydrochloride
CID 175186319
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-methylnonan-2-amine
CID 87970536
magnesium;2-methylpropan-2-amine;dibromide
CID 175491555
1,1,1-trifluoro-2-(methylideneamino)propan-2-amine
CID 88891205
1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
2,2-difluoropropane
CID 160894634
2,2-difluoropropane-1,1-diamine;hydrochloride
CID 87958689
2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
CID 173177783
(2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride
CID 86659431
(2S)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol
CID 96565633
1-aminoethane-1,1-diol;hydrochloride
CID 173034802

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride (CID 131874730) is 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride is CC(N)(C(F)(F)F)C(F)(F)F.Cl.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride?
The InChIKey is GRNGEYQTJPGMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F6N.ClH/c1-2(11,3(5,6)7)4(8,9)10;/h11H2,1H3;1H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride?
1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride has a molecular weight of 217.54 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 131874730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).