2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol

C12H14F3NO2 — CID 171255529

IUPAC2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol
SMILESN[C@H](c1cccc(OC(F)(F)F)c1O)C1CCC1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)18-9-6-2-5-8(11(9)17)10(16)7-3-1-4-7/h2,5-7,10,17H,1,3-4,16H2/t10-/m0/s1
InChIKeyYFCBODNJOQSCAL-JTQLQIEISA-N
MW261.24 g/mol
LogP3.09
Rot. Bonds3

About 2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol

2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol (PubChem CID 171255529) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol
PubChem CID171255529
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol
SMILESN[C@H](c1cccc(OC(F)(F)F)c1O)C1CCC1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)18-9-6-2-5-8(11(9)17)10(16)7-3-1-4-7/h2,5-7,10,17H,1,3-4,16H2/t10-/m0/s1
InChIKeyYFCBODNJOQSCAL-JTQLQIEISA-N
XLogP3.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride
CID 171208551
2-[(1S)-1-aminoethyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171255504
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclobutylmethanamine
CID 171227613
2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol
CID 66514766
2-[(1S)-1-amino-2-fluoroethyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171258866
(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160319
(S)-cyclobutyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methanamine
CID 171228325
(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine
CID 171208037
2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride
CID 171212510
2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210144
3-[amino(cyclobutyl)methyl]-2-methylphenol
CID 130061106

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol?
The IUPAC name of 2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol (CID 171255529) is 2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol?
The canonical SMILES for 2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol is N[C@H](c1cccc(OC(F)(F)F)c1O)C1CCC1.
What is the InChIKey of 2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol?
The InChIKey is YFCBODNJOQSCAL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)18-9-6-2-5-8(11(9)17)10(16)7-3-1-4-7/h2,5-7,10,17H,1,3-4,16H2/t10-/m0/s1.
What are the key properties of 2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol?
2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol has a molecular weight of 261.24 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol is sourced from PubChem (CID 171255529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).