4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride

C5H12ClF2NO — CID 138109733

IUPAC4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride
SMILESCC(C)(O)C(F)(F)CN.Cl
InChIInChI=1S/C5H11F2NO.ClH/c1-4(2,9)5(6,7)3-8;/h9H,3,8H2,1-2H3;1H
InChIKeyUDDKEZUTAABKHZ-UHFFFAOYSA-N
MW175.61 g/mol
LogP0.77
Rot. Bonds2

About 4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride

4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride (PubChem CID 138109733) has the molecular formula C5H12ClF2NO and a molecular weight of 175.61 g/mol. Its IUPAC name is 4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride
PubChem CID138109733
Molecular FormulaC5H12ClF2NO
Molecular Weight175.61 g/mol
Exact Mass175.06
IUPAC Name4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride
SMILESCC(C)(O)C(F)(F)CN.Cl
InChIInChI=1S/C5H11F2NO.ClH/c1-4(2,9)5(6,7)3-8;/h9H,3,8H2,1-2H3;1H
InChIKeyUDDKEZUTAABKHZ-UHFFFAOYSA-N
XLogP0.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride?
The IUPAC name of 4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride (CID 138109733) is 4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride.
What is the SMILES notation for 4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride?
The canonical SMILES for 4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride is CC(C)(O)C(F)(F)CN.Cl.
What is the InChIKey of 4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride?
The InChIKey is UDDKEZUTAABKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO.ClH/c1-4(2,9)5(6,7)3-8;/h9H,3,8H2,1-2H3;1H.
What are the key properties of 4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride?
4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride has a molecular weight of 175.61 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-difluoro-2-methylbutan-2-ol;hydrochloride is sourced from PubChem (CID 138109733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).