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

C10H12F3NO — CID 1487789

IUPAC(3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESN[C@@H](CCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)8-3-1-2-7(6-8)9(14)4-5-15/h1-3,6,9,15H,4-5,14H2/t9-/m0/s1
InChIKeyAITWXNLDCLFQPJ-VIFPVBQESA-N
MW219.21 g/mol
LogP2.09
Rot. Bonds3

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

(3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 1487789) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID1487789
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESN[C@@H](CCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)8-3-1-2-7(6-8)9(14)4-5-15/h1-3,6,9,15H,4-5,14H2/t9-/m0/s1
InChIKeyAITWXNLDCLFQPJ-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 1487789) is (3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol is N[C@@H](CCO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is AITWXNLDCLFQPJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)8-3-1-2-7(6-8)9(14)4-5-15/h1-3,6,9,15H,4-5,14H2/t9-/m0/s1.
What are the key properties of (3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
(3S)-3-amino-3-[3-(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 (3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 1487789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).