2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride

C10H10ClF6NO — CID 54601555

IUPAC2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride
SMILESCc1ccc(N)c(C(O)(C(F)(F)F)C(F)(F)F)c1.Cl
InChIInChI=1S/C10H9F6NO.ClH/c1-5-2-3-7(17)6(4-5)8(18,9(11,12)13)10(14,15)16;/h2-4,18H,17H2,1H3;1H
InChIKeyRSMKXEJUQWIKLD-UHFFFAOYSA-N
MW309.64 g/mol
LogP3.31
Rot. Bonds1

About 2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride

2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride (PubChem CID 54601555) has the molecular formula C10H10ClF6NO and a molecular weight of 309.64 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride
PubChem CID54601555
Molecular FormulaC10H10ClF6NO
Molecular Weight309.64 g/mol
Exact Mass309.04
IUPAC Name2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride
SMILESCc1ccc(N)c(C(O)(C(F)(F)F)C(F)(F)F)c1.Cl
InChIInChI=1S/C10H9F6NO.ClH/c1-5-2-3-7(17)6(4-5)8(18,9(11,12)13)10(14,15)16;/h2-4,18H,17H2,1H3;1H
InChIKeyRSMKXEJUQWIKLD-UHFFFAOYSA-N
XLogP3.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.64
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 577801
1-(2-Amino-3-methylphenyl)ethan-1-ol
CID 102330434
2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 320085
2-(4-Aminophenyl)propan-2-ol
CID 9543261
2-Amino-alpha-methylbenzenemethanol
CID 112058
2-Amino-5-methylbenzyl alcohol
CID 576450
2,2'-[4-(Methylamino)-1,3-phenylene]bis(1,1,1,3,3,3-hexafluoro-2-propanol)
CID 2969833
Benzenemethanol, 3-amino-alpha-methyl-5-(trifluoromethyl)-
CID 206072
(4-Amino-3-methylphenyl)methanol
CID 1514189
2-(2-Aminophenyl)propan-2-ol
CID 253527
3-(2-Aminophenyl)pentan-3-ol
CID 10607441
2-(4-Amino-3,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 1275346

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride?
The IUPAC name of 2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride (CID 54601555) is 2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride?
The canonical SMILES for 2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride is Cc1ccc(N)c(C(O)(C(F)(F)F)C(F)(F)F)c1.Cl.
What is the InChIKey of 2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride?
The InChIKey is RSMKXEJUQWIKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO.ClH/c1-5-2-3-7(17)6(4-5)8(18,9(11,12)13)10(14,15)16;/h2-4,18H,17H2,1H3;1H.
What are the key properties of 2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride?
2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride has a molecular weight of 309.64 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride is sourced from PubChem (CID 54601555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).