2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C10H9F6NO — CID 14510512

IUPAC2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N
InChIInChI=1S/C10H9F6NO/c1-5-4-6(2-3-7(5)17)8(18,9(11,12)13)10(14,15)16/h2-4,18H,17H2,1H3
InChIKeyBBKBZCHWYBHANQ-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.89
Rot. Bonds1

About 2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 14510512) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID14510512
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N
InChIInChI=1S/C10H9F6NO/c1-5-4-6(2-3-7(5)17)8(18,9(11,12)13)10(14,15)16/h2-4,18H,17H2,1H3
InChIKeyBBKBZCHWYBHANQ-UHFFFAOYSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.89
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
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
4-Amino-alpha-methylbenzenemethanol
CID 85753
2-Amino-5-methylbenzyl alcohol
CID 576450
1,1,1,3,3,3-Hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol
CID 447911
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
(1S)-1-(4-aminophenyl)ethan-1-ol
CID 6951270
[4-Amino-3-(hydroxymethyl)phenyl]methanol
CID 67127241
1,1,1-Trifluoro-2-(4-nitrophenyl)propan-2-ol
CID 58813053

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 14510512) is 2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is BBKBZCHWYBHANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO/c1-5-4-6(2-3-7(5)17)8(18,9(11,12)13)10(14,15)16/h2-4,18H,17H2,1H3.
What are the key properties of 2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 273.18 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 14510512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).