3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol

C9H10F3NO2 — CID 63901721

IUPAC3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol
SMILESNc1cccc(OCC(O)C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)8(14)5-15-7-3-1-2-6(13)4-7/h1-4,8,14H,5,13H2
InChIKeyCEZSFWYSRGVYJV-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.57
Rot. Bonds3

About 3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol

3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol (PubChem CID 63901721) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol
PubChem CID63901721
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol
SMILESNc1cccc(OCC(O)C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)8(14)5-15-7-3-1-2-6(13)4-7/h1-4,8,14H,5,13H2
InChIKeyCEZSFWYSRGVYJV-UHFFFAOYSA-N
XLogP1.57
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900607
3-(3,3,3-trifluoro-2-hydroxypropoxy)benzonitrile
CID 63901285
2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid
CID 63899374
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007
3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900614
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
CID 62269537
3-(2-fluoro-2-methylpropoxy)aniline
CID 84659068
1-(3-aminophenoxy)-3-(2,5-difluorophenoxy)propan-2-ol
CID 63268739
3,3,3-trifluoropropyl 3-(3-aminophenoxy)propanoate
CID 64565534
3-(2,2-diethoxyethoxy)aniline
CID 81089807
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol (CID 63901721) is 3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol is Nc1cccc(OCC(O)C(F)(F)F)c1.
What is the InChIKey of 3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol?
The InChIKey is CEZSFWYSRGVYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c10-9(11,12)8(14)5-15-7-3-1-2-6(13)4-7/h1-4,8,14H,5,13H2.
What are the key properties of 3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol?
3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol has a molecular weight of 221.18 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).