2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride

C10H11ClF3NO — CID 171258066

IUPAC2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride
SMILESC=C[C@@H](N)c1cc(C(F)(F)F)ccc1O.Cl
InChIInChI=1S/C10H10F3NO.ClH/c1-2-8(14)7-5-6(10(11,12)13)3-4-9(7)15;/h2-5,8,15H,1,14H2;1H/t8-;/m1./s1
InChIKeyZFGYTFMAGZYDIE-DDWIOCJRSA-N
MW253.65 g/mol
LogP3.02
Rot. Bonds2

About 2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride

2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride (PubChem CID 171258066) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride
PubChem CID171258066
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride
SMILESC=C[C@@H](N)c1cc(C(F)(F)F)ccc1O.Cl
InChIInChI=1S/C10H10F3NO.ClH/c1-2-8(14)7-5-6(10(11,12)13)3-4-9(7)15;/h2-5,8,15H,1,14H2;1H/t8-;/m1./s1
InChIKeyZFGYTFMAGZYDIE-DDWIOCJRSA-N
XLogP3.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride (CID 171258066) is 2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride is C=C[C@@H](N)c1cc(C(F)(F)F)ccc1O.Cl.
What is the InChIKey of 2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride?
The InChIKey is ZFGYTFMAGZYDIE-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10F3NO.ClH/c1-2-8(14)7-5-6(10(11,12)13)3-4-9(7)15;/h2-5,8,15H,1,14H2;1H/t8-;/m1./s1.
What are the key properties of 2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride?
2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride has a molecular weight of 253.65 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride is sourced from PubChem (CID 171258066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).