1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride

C5H11ClF3NO — CID 167715338

IUPAC1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride
SMILESCl.NCC(O)CCC(F)(F)F
InChIInChI=1S/C5H10F3NO.ClH/c6-5(7,8)2-1-4(10)3-9;/h4,10H,1-3,9H2;1H
InChIKeyNEEQLEMZWRYLFQ-UHFFFAOYSA-N
MW193.60 g/mol
LogP1.07
Rot. Bonds3

About 1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride

1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride (PubChem CID 167715338) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is 1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride
PubChem CID167715338
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride
SMILESCl.NCC(O)CCC(F)(F)F
InChIInChI=1S/C5H10F3NO.ClH/c6-5(7,8)2-1-4(10)3-9;/h4,10H,1-3,9H2;1H
InChIKeyNEEQLEMZWRYLFQ-UHFFFAOYSA-N
XLogP1.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.60
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride?
The IUPAC name of 1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride (CID 167715338) is 1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride is Cl.NCC(O)CCC(F)(F)F.
What is the InChIKey of 1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride?
The InChIKey is NEEQLEMZWRYLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c6-5(7,8)2-1-4(10)3-9;/h4,10H,1-3,9H2;1H.
What are the key properties of 1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride?
1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride has a molecular weight of 193.60 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5,5,5-trifluoropentan-2-ol;hydrochloride is sourced from PubChem (CID 167715338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).