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

C10H12F3NO — CID 96951616

IUPAC(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESNCC[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)8-4-2-1-3-7(8)9(15)5-6-14/h1-4,9,15H,5-6,14H2/t9-/m1/s1
InChIKeyNACIGKCJLIVJFF-SECBINFHSA-N
MW219.21 g/mol
LogP2.09
Rot. Bonds3

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

(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 96951616) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID96951616
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESNCC[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)8-4-2-1-3-7(8)9(15)5-6-14/h1-4,9,15H,5-6,14H2/t9-/m1/s1
InChIKeyNACIGKCJLIVJFF-SECBINFHSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
1-[2-(trifluoromethyl)phenyl]nonan-1-ol
CID 65148219
3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 62802306
2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol
CID 105476954
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 103147504
3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105096259
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
3-amino-1-(2-propan-2-ylphenyl)propan-1-ol
CID 82605381
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol
CID 79411718

Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol (CID 96951616) is (1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol is NCC[C@@H](O)c1ccccc1C(F)(F)F.
What is the InChIKey of (1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is NACIGKCJLIVJFF-SECBINFHSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)8-4-2-1-3-7(8)9(15)5-6-14/h1-4,9,15H,5-6,14H2/t9-/m1/s1.
What are the key properties of (1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 219.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 96951616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).