5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride

C9H20ClF2NO — CID 155943802

IUPAC5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride
SMILESCC(C)(C)C(O)C(F)(F)C(C)(C)N.Cl
InChIInChI=1S/C9H19F2NO.ClH/c1-7(2,3)6(13)9(10,11)8(4,5)12;/h6,13H,12H2,1-5H3;1H
InChIKeyPFAWIDAAFQLKRP-UHFFFAOYSA-N
MW231.71 g/mol
LogP2.19
Rot. Bonds2

About 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride

5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride (PubChem CID 155943802) has the molecular formula C9H20ClF2NO and a molecular weight of 231.71 g/mol. Its IUPAC name is 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride.

Molecular Properties

Compound Name5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride
PubChem CID155943802
Molecular FormulaC9H20ClF2NO
Molecular Weight231.71 g/mol
Exact Mass231.12
IUPAC Name5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride
SMILESCC(C)(C)C(O)C(F)(F)C(C)(C)N.Cl
InChIInChI=1S/C9H19F2NO.ClH/c1-7(2,3)6(13)9(10,11)8(4,5)12;/h6,13H,12H2,1-5H3;1H
InChIKeyPFAWIDAAFQLKRP-UHFFFAOYSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride?
The IUPAC name of 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride (CID 155943802) is 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride.
What is the SMILES notation for 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride?
The canonical SMILES for 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride is CC(C)(C)C(O)C(F)(F)C(C)(C)N.Cl.
What is the InChIKey of 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride?
The InChIKey is PFAWIDAAFQLKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO.ClH/c1-7(2,3)6(13)9(10,11)8(4,5)12;/h6,13H,12H2,1-5H3;1H.
What are the key properties of 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride?
5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride has a molecular weight of 231.71 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol;hydrochloride is sourced from PubChem (CID 155943802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).