1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol

C14H19F4NO2 — CID 115519141

IUPAC1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
SMILESOC(CNCCCCC(F)(F)F)COc1ccc(F)cc1
InChIInChI=1S/C14H19F4NO2/c15-11-3-5-13(6-4-11)21-10-12(20)9-19-8-2-1-7-14(16,17)18/h3-6,12,19-20H,1-2,7-10H2
InChIKeyUSLGSRMHTFDRGK-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.89
Rot. Bonds9

About 1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol

1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol (PubChem CID 115519141) has the molecular formula C14H19F4NO2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
PubChem CID115519141
Molecular FormulaC14H19F4NO2
Molecular Weight309.30 g/mol
Exact Mass309.14
IUPAC Name1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
SMILESOC(CNCCCCC(F)(F)F)COc1ccc(F)cc1
InChIInChI=1S/C14H19F4NO2/c15-11-3-5-13(6-4-11)21-10-12(20)9-19-8-2-1-7-14(16,17)18/h3-6,12,19-20H,1-2,7-10H2
InChIKeyUSLGSRMHTFDRGK-UHFFFAOYSA-N
XLogP2.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729
1-(4-ethylphenoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518304
1-(4-methoxyphenoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63227399
1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
CID 103603634
1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106292239
1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 60632924
N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909620
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(2,2-dimethylbutylamino)-3-(4-fluorophenoxy)propan-2-ol
CID 103698735
1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609743
4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol
CID 118334706
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol (CID 115519141) is 1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol is OC(CNCCCCC(F)(F)F)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol?
The InChIKey is USLGSRMHTFDRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO2/c15-11-3-5-13(6-4-11)21-10-12(20)9-19-8-2-1-7-14(16,17)18/h3-6,12,19-20H,1-2,7-10H2.
What are the key properties of 1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol?
1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol has a molecular weight of 309.30 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol is sourced from PubChem (CID 115519141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).