2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol

C17H17F4NO2 — CID 22261969

IUPAC2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
SMILESNC(Cc1cccc(OCC(F)(F)F)c1)C(O)c1ccccc1F
InChIInChI=1S/C17H17F4NO2/c18-14-7-2-1-6-13(14)16(23)15(22)9-11-4-3-5-12(8-11)24-10-17(19,20)21/h1-8,15-16,23H,9-10,22H2
InChIKeyNNXVCCZDVWLWLQ-UHFFFAOYSA-N
MW343.32 g/mol
LogP3.37
Rot. Bonds6

About 2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol

2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol (PubChem CID 22261969) has the molecular formula C17H17F4NO2 and a molecular weight of 343.32 g/mol. Its IUPAC name is 2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
PubChem CID22261969
Molecular FormulaC17H17F4NO2
Molecular Weight343.32 g/mol
Exact Mass343.12
IUPAC Name2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
SMILESNC(Cc1cccc(OCC(F)(F)F)c1)C(O)c1ccccc1F
InChIInChI=1S/C17H17F4NO2/c18-14-7-2-1-6-13(14)16(23)15(22)9-11-4-3-5-12(8-11)24-10-17(19,20)21/h1-8,15-16,23H,9-10,22H2
InChIKeyNNXVCCZDVWLWLQ-UHFFFAOYSA-N
XLogP3.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
methyl 2-amino-3-[3-(2,2,2-trifluoroethoxy)phenyl]propanoate
CID 138985988
[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
CID 131887014
1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 63084701
2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol
CID 22261630
(2R)-3-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanoic acid
CID 120511530
2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 117244014
1-(methylsulfanylmethyl)-3-(2,2,2-trifluoroethoxy)benzene
CID 146722798
1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566554
2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol
CID 114488231
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62801984
2-(2-fluorophenyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55712265

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol?
The IUPAC name of 2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol (CID 22261969) is 2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol is NC(Cc1cccc(OCC(F)(F)F)c1)C(O)c1ccccc1F.
What is the InChIKey of 2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol?
The InChIKey is NNXVCCZDVWLWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4NO2/c18-14-7-2-1-6-13(14)16(23)15(22)9-11-4-3-5-12(8-11)24-10-17(19,20)21/h1-8,15-16,23H,9-10,22H2.
What are the key properties of 2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol?
2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol has a molecular weight of 343.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 22261969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).