1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol

C11H14F3NO — CID 106695875

IUPAC1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol
SMILESNc1cccc(C(O)CCCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)6-2-5-10(16)8-3-1-4-9(15)7-8/h1,3-4,7,10,16H,2,5-6,15H2
InChIKeyWELGARKNHOBPLM-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.03
Rot. Bonds4

About 1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol

1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol (PubChem CID 106695875) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol
PubChem CID106695875
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol
SMILESNc1cccc(C(O)CCCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)6-2-5-10(16)8-3-1-4-9(15)7-8/h1,3-4,7,10,16H,2,5-6,15H2
InChIKeyWELGARKNHOBPLM-UHFFFAOYSA-N
XLogP3.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.03
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

5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol
CID 115515411
3-(5,5,5-trifluoro-1-hydroxypentyl)benzonitrile
CID 115515722
1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
CID 106695946
1,3-bis(3-aminophenyl)propan-1-ol
CID 12932007
1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 55055206
4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide
CID 82113079
1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 106695922
4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
CID 64565521
1-phenyl-3-(4,4,4-trifluorobutoxy)propan-1-ol
CID 116693441
3-(1,2,2,2-tetrafluoroethyl)aniline
CID 83854117
3-(1-amino-2,2,2-trifluoroethyl)aniline
CID 55273208
3-(3-aminophenyl)-3-hydroxypropanal
CID 102502170

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol (CID 106695875) is 1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol is Nc1cccc(C(O)CCCC(F)(F)F)c1.
What is the InChIKey of 1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is WELGARKNHOBPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c12-11(13,14)6-2-5-10(16)8-3-1-4-9(15)7-8/h1,3-4,7,10,16H,2,5-6,15H2.
What are the key properties of 1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol?
1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 233.23 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 106695875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).