1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol

C13H15F4NO2 — CID 106212261

IUPAC1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
SMILESOC(CNC1(C(F)(F)F)CC1)COc1ccccc1F
InChIInChI=1S/C13H15F4NO2/c14-10-3-1-2-4-11(10)20-8-9(19)7-18-12(5-6-12)13(15,16)17/h1-4,9,18-19H,5-8H2
InChIKeyAGUNLRFFMPPQSI-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.25
Rot. Bonds6

About 1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol

1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol (PubChem CID 106212261) has the molecular formula C13H15F4NO2 and a molecular weight of 293.26 g/mol. Its IUPAC name is 1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
PubChem CID106212261
Molecular FormulaC13H15F4NO2
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC Name1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
SMILESOC(CNC1(C(F)(F)F)CC1)COc1ccccc1F
InChIInChI=1S/C13H15F4NO2/c14-10-3-1-2-4-11(10)20-8-9(19)7-18-12(5-6-12)13(15,16)17/h1-4,9,18-19H,5-8H2
InChIKeyAGUNLRFFMPPQSI-UHFFFAOYSA-N
XLogP2.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile
CID 106212597
1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212245
1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol
CID 65108883
1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 113465059
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62359837
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
CID 45496401
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 103461242
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The IUPAC name of 1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol (CID 106212261) is 1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The canonical SMILES for 1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol is OC(CNC1(C(F)(F)F)CC1)COc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The InChIKey is AGUNLRFFMPPQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO2/c14-10-3-1-2-4-11(10)20-8-9(19)7-18-12(5-6-12)13(15,16)17/h1-4,9,18-19H,5-8H2.
What are the key properties of 1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol has a molecular weight of 293.26 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol is sourced from PubChem (CID 106212261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).