(1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol

C13H12F3NO — CID 162539789

IUPAC(1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol
SMILESCc1cccc([C@@](O)(c2ccc[nH]2)C(F)(F)F)c1
InChIInChI=1S/C13H12F3NO/c1-9-4-2-5-10(8-9)12(18,13(14,15)16)11-6-3-7-17-11/h2-8,17-18H,1H3/t12-/m1/s1
InChIKeyPXNHXELOHKVETO-GFCCVEGCSA-N
MW255.24 g/mol
LogP3.12
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol

(1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol (PubChem CID 162539789) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol
PubChem CID162539789
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name(1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol
SMILESCc1cccc([C@@](O)(c2ccc[nH]2)C(F)(F)F)c1
InChIInChI=1S/C13H12F3NO/c1-9-4-2-5-10(8-9)12(18,13(14,15)16)11-6-3-7-17-11/h2-8,17-18H,1H3/t12-/m1/s1
InChIKeyPXNHXELOHKVETO-GFCCVEGCSA-N
XLogP3.12
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol (CID 162539789) is (1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol is Cc1cccc([C@@](O)(c2ccc[nH]2)C(F)(F)F)c1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol?
The InChIKey is PXNHXELOHKVETO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-9-4-2-5-10(8-9)12(18,13(14,15)16)11-6-3-7-17-11/h2-8,17-18H,1H3/t12-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol?
(1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol has a molecular weight of 255.24 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(3-methylphenyl)-1-(1H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 162539789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).