[2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol

C14H12F3NOS — CID 16640767

IUPAC[2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol
SMILESNc1cc(C(F)(F)F)ccc1Sc1ccccc1CO
InChIInChI=1S/C14H12F3NOS/c15-14(16,17)10-5-6-13(11(18)7-10)20-12-4-2-1-3-9(12)8-19/h1-7,19H,8,18H2
InChIKeyNNLSFXLBRWOMND-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.93
Rot. Bonds3

About [2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol

[2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol (PubChem CID 16640767) has the molecular formula C14H12F3NOS and a molecular weight of 299.32 g/mol. Its IUPAC name is [2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol
PubChem CID16640767
Molecular FormulaC14H12F3NOS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name[2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol
SMILESNc1cc(C(F)(F)F)ccc1Sc1ccccc1CO
InChIInChI=1S/C14H12F3NOS/c15-14(16,17)10-5-6-13(11(18)7-10)20-12-4-2-1-3-9(12)8-19/h1-7,19H,8,18H2
InChIKeyNNLSFXLBRWOMND-UHFFFAOYSA-N
XLogP3.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol?
The IUPAC name of [2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol (CID 16640767) is [2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol?
The canonical SMILES for [2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol is Nc1cc(C(F)(F)F)ccc1Sc1ccccc1CO.
What is the InChIKey of [2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol?
The InChIKey is NNLSFXLBRWOMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS/c15-14(16,17)10-5-6-13(11(18)7-10)20-12-4-2-1-3-9(12)8-19/h1-7,19H,8,18H2.
What are the key properties of [2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol?
[2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol has a molecular weight of 299.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 16640767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).