2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol

C9H10F3NO — CID 20704035

IUPAC2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(N)cc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-8(14,9(10,11)12)6-2-4-7(13)5-3-6/h2-5,14H,13H2,1H3
InChIKeyHNEGBJXPLNCNQL-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.04
Rot. Bonds1

About 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol

2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 20704035) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID20704035
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(N)cc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-8(14,9(10,11)12)6-2-4-7(13)5-3-6/h2-5,14H,13H2,1H3
InChIKeyHNEGBJXPLNCNQL-UHFFFAOYSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.04
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

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4-Amino-alpha-methylbenzenemethanol
CID 85753
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CID 206072
(4-Amino-3-methylphenyl)methanol
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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol (CID 20704035) is 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol is CC(O)(c1ccc(N)cc1)C(F)(F)F.
What is the InChIKey of 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is HNEGBJXPLNCNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-8(14,9(10,11)12)6-2-4-7(13)5-3-6/h2-5,14H,13H2,1H3.
What are the key properties of 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol?
2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 205.18 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 20704035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).