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

C11H16F3NO — CID 143399660

IUPAC2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane
SMILESCC.CC(O)(c1ccc(N)cc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO.C2H6/c1-8(14,9(10,11)12)6-2-4-7(13)5-3-6;1-2/h2-5,14H,13H2,1H3;1-2H3
InChIKeySOZTZXOLQRXTNI-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.06
Rot. Bonds1

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

2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane (PubChem CID 143399660) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane.

Molecular Properties

Compound Name2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane
PubChem CID143399660
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane
SMILESCC.CC(O)(c1ccc(N)cc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO.C2H6/c1-8(14,9(10,11)12)6-2-4-7(13)5-3-6;1-2/h2-5,14H,13H2,1H3;1-2H3
InChIKeySOZTZXOLQRXTNI-UHFFFAOYSA-N
XLogP3.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.06
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

1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23528246
ethane;1,1,1-trifluoro-2-(4-sulfanylphenyl)propan-2-ol
CID 171099400
benzene-1,4-diamine;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
CID 90976001
2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
CID 130274652
2-(4-aminophenyl)-3-methylbutan-2-ol
CID 115015456
ethane;1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-ol
CID 145146727
2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 154534897
2-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol
CID 118144058
1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-ol
CID 58813053
1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol
CID 13463093
[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methylcarbamic acid
CID 170166362
2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetic acid
CID 115046288

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane?
The IUPAC name of 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane (CID 143399660) is 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane.
What is the SMILES notation for 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane?
The canonical SMILES for 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane is CC.CC(O)(c1ccc(N)cc1)C(F)(F)F.
What is the InChIKey of 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane?
The InChIKey is SOZTZXOLQRXTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO.C2H6/c1-8(14,9(10,11)12)6-2-4-7(13)5-3-6;1-2/h2-5,14H,13H2,1H3;1-2H3.
What are the key properties of 2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane?
2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane has a molecular weight of 235.25 g/mol, XLogP of 3.06, 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;ethane is sourced from PubChem (CID 143399660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).