(2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride

C8H17ClF3NO — CID 171237461

IUPAC(2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride
SMILESCC(C)(C)[C@H](N)C[C@H](O)C(F)(F)F.Cl
InChIInChI=1S/C8H16F3NO.ClH/c1-7(2,3)5(12)4-6(13)8(9,10)11;/h5-6,13H,4,12H2,1-3H3;1H/t5-,6+;/m1./s1
InChIKeyFMZGVRWKLYBBIE-IBTYICNHSA-N
MW235.68 g/mol
LogP2.09
Rot. Bonds2

About (2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride

(2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride (PubChem CID 171237461) has the molecular formula C8H17ClF3NO and a molecular weight of 235.68 g/mol. Its IUPAC name is (2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride
PubChem CID171237461
Molecular FormulaC8H17ClF3NO
Molecular Weight235.68 g/mol
Exact Mass235.10
IUPAC Name(2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride
SMILESCC(C)(C)[C@H](N)C[C@H](O)C(F)(F)F.Cl
InChIInChI=1S/C8H16F3NO.ClH/c1-7(2,3)5(12)4-6(13)8(9,10)11;/h5-6,13H,4,12H2,1-3H3;1H/t5-,6+;/m1./s1
InChIKeyFMZGVRWKLYBBIE-IBTYICNHSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride with MolForge

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Related Compounds

5-Amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol hydrochloride
CID 155943802
3-amino-1,1,1-trifluoro-5-methyl-2-hexanol HCl
CID 23290106
1-Fluoro-2,2-bis(fluoromethyl)-5-(methylamino)hexan-3-ol
CID 117736477
(4S)-4-amino-1-fluoro-2,2-bis(fluoromethyl)-5-methylhexan-3-ol
CID 139715696
4-Amino-1-fluoro-2,2-bis(fluoromethyl)-5-methylhexan-3-ol
CID 139715698
(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentan-1-ol;hydrochloride
CID 169093308
(5R)-5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol;hydrochloride
CID 11601118
(5R)-5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol
CID 11601119
(3R,5R)-5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol
CID 12164124
(3S,5R)-5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol
CID 12164125
(3S,5S)-5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol
CID 29931843
(3R,5S)-5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol
CID 29931848

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride?
The IUPAC name of (2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride (CID 171237461) is (2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride.
What is the SMILES notation for (2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride?
The canonical SMILES for (2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride is CC(C)(C)[C@H](N)C[C@H](O)C(F)(F)F.Cl.
What is the InChIKey of (2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride?
The InChIKey is FMZGVRWKLYBBIE-IBTYICNHSA-N. The full InChI is InChI=1S/C8H16F3NO.ClH/c1-7(2,3)5(12)4-6(13)8(9,10)11;/h5-6,13H,4,12H2,1-3H3;1H/t5-,6+;/m1./s1.
What are the key properties of (2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride?
(2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride has a molecular weight of 235.68 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1,1,1-trifluoro-5,5-dimethylhexan-2-ol;hydrochloride is sourced from PubChem (CID 171237461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).