2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol

C16H15F4NO — CID 22261902

IUPAC2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESNC(Cc1ccc(F)cc1)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F4NO/c17-13-7-1-10(2-8-13)9-14(21)15(22)11-3-5-12(6-4-11)16(18,19)20/h1-8,14-15,22H,9,21H2
InChIKeyNHHAFJAKHQAFGB-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.45
Rot. Bonds4

About 2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol

2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 22261902) has the molecular formula C16H15F4NO and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID22261902
Molecular FormulaC16H15F4NO
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC Name2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESNC(Cc1ccc(F)cc1)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F4NO/c17-13-7-1-10(2-8-13)9-14(21)15(22)11-3-5-12(6-4-11)16(18,19)20/h1-8,14-15,22H,9,21H2
InChIKeyNHHAFJAKHQAFGB-UHFFFAOYSA-N
XLogP3.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(4-fluorophenyl)methyl]-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoate
CID 22261474
2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 43566144
2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol
CID 22261599
2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 22262196
3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide
CID 153385822
4-(4-fluorobenzoyl)-N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 22262341
2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 62720952
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 82683165
2-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65479087
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79016422
(1S,2R,3S)-3-amino-1-cyclopropyl-4-(4-fluorophenyl)butane-1,2-diol
CID 57030916

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 22261902) is 2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol is NC(Cc1ccc(F)cc1)C(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is NHHAFJAKHQAFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO/c17-13-7-1-10(2-8-13)9-14(21)15(22)11-3-5-12(6-4-11)16(18,19)20/h1-8,14-15,22H,9,21H2.
What are the key properties of 2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 313.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 22261902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).