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

C8H18ClF2NO — CID 155943800

IUPAC5-amino-4,4-difluoro-2,5-dimethylhexan-3-ol;hydrochloride
SMILESCC(C)C(O)C(F)(F)C(C)(C)N.Cl
InChIInChI=1S/C8H17F2NO.ClH/c1-5(2)6(12)8(9,10)7(3,4)11;/h5-6,12H,11H2,1-4H3;1H
InChIKeyPIMGLJBNLORSIL-UHFFFAOYSA-N
MW217.69 g/mol
LogP1.80
Rot. Bonds3

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

5-amino-4,4-difluoro-2,5-dimethylhexan-3-ol;hydrochloride (PubChem CID 155943800) has the molecular formula C8H18ClF2NO and a molecular weight of 217.69 g/mol. Its IUPAC name is 5-amino-4,4-difluoro-2,5-dimethylhexan-3-ol;hydrochloride.

Molecular Properties

Compound Name5-amino-4,4-difluoro-2,5-dimethylhexan-3-ol;hydrochloride
PubChem CID155943800
Molecular FormulaC8H18ClF2NO
Molecular Weight217.69 g/mol
Exact Mass217.10
IUPAC Name5-amino-4,4-difluoro-2,5-dimethylhexan-3-ol;hydrochloride
SMILESCC(C)C(O)C(F)(F)C(C)(C)N.Cl
InChIInChI=1S/C8H17F2NO.ClH/c1-5(2)6(12)8(9,10)7(3,4)11;/h5-6,12H,11H2,1-4H3;1H
InChIKeyPIMGLJBNLORSIL-UHFFFAOYSA-N
XLogP1.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.69
LogP ≤ 51.80
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-2,5-dimethylhexan-3-ol;hydrochloride?
The IUPAC name of 5-amino-4,4-difluoro-2,5-dimethylhexan-3-ol;hydrochloride (CID 155943800) is 5-amino-4,4-difluoro-2,5-dimethylhexan-3-ol;hydrochloride.
What is the SMILES notation for 5-amino-4,4-difluoro-2,5-dimethylhexan-3-ol;hydrochloride?
The canonical SMILES for 5-amino-4,4-difluoro-2,5-dimethylhexan-3-ol;hydrochloride is CC(C)C(O)C(F)(F)C(C)(C)N.Cl.
What is the InChIKey of 5-amino-4,4-difluoro-2,5-dimethylhexan-3-ol;hydrochloride?
The InChIKey is PIMGLJBNLORSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO.ClH/c1-5(2)6(12)8(9,10)7(3,4)11;/h5-6,12H,11H2,1-4H3;1H.
What are the key properties of 5-amino-4,4-difluoro-2,5-dimethylhexan-3-ol;hydrochloride?
5-amino-4,4-difluoro-2,5-dimethylhexan-3-ol;hydrochloride has a molecular weight of 217.69 g/mol, XLogP of 1.80, 3 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-2,5-dimethylhexan-3-ol;hydrochloride is sourced from PubChem (CID 155943800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).