2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride

C6H10ClF6NO — CID 118389674

IUPAC2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride
SMILESCl.NC(CO)CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6NO.ClH/c7-5(8,9)4(6(10,11)12)1-3(13)2-14;/h3-4,14H,1-2,13H2;1H
InChIKeyOTOPHAQHIKGTON-UHFFFAOYSA-N
MW261.59 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride

2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride (PubChem CID 118389674) has the molecular formula C6H10ClF6NO and a molecular weight of 261.59 g/mol. Its IUPAC name is 2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride
PubChem CID118389674
Molecular FormulaC6H10ClF6NO
Molecular Weight261.59 g/mol
Exact Mass261.04
IUPAC Name2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride
SMILESCl.NC(CO)CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6NO.ClH/c7-5(8,9)4(6(10,11)12)1-3(13)2-14;/h3-4,14H,1-2,13H2;1H
InChIKeyOTOPHAQHIKGTON-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.59
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride?
The IUPAC name of 2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride (CID 118389674) is 2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride is Cl.NC(CO)CC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride?
The InChIKey is OTOPHAQHIKGTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6NO.ClH/c7-5(8,9)4(6(10,11)12)1-3(13)2-14;/h3-4,14H,1-2,13H2;1H.
What are the key properties of 2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride?
2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride has a molecular weight of 261.59 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride is sourced from PubChem (CID 118389674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).