(1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol

C14H14F3NO — CID 102280273

IUPAC(1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
SMILESCCc1ccc([C@@](O)(c2ccc[nH]2)C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO/c1-2-10-5-7-11(8-6-10)13(19,14(15,16)17)12-4-3-9-18-12/h3-9,18-19H,2H2,1H3/t13-/m1/s1
InChIKeyMMYVMUOJQCFEBO-CYBMUJFWSA-N
MW269.27 g/mol
LogP3.38
Rot. Bonds3

About (1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol

(1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol (PubChem CID 102280273) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is (1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
PubChem CID102280273
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name(1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
SMILESCCc1ccc([C@@](O)(c2ccc[nH]2)C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO/c1-2-10-5-7-11(8-6-10)13(19,14(15,16)17)12-4-3-9-18-12/h3-9,18-19H,2H2,1H3/t13-/m1/s1
InChIKeyMMYVMUOJQCFEBO-CYBMUJFWSA-N
XLogP3.38
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
The IUPAC name of (1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol (CID 102280273) is (1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
The canonical SMILES for (1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol is CCc1ccc([C@@](O)(c2ccc[nH]2)C(F)(F)F)cc1.
What is the InChIKey of (1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
The InChIKey is MMYVMUOJQCFEBO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-10-5-7-11(8-6-10)13(19,14(15,16)17)12-4-3-9-18-12/h3-9,18-19H,2H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
(1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol has a molecular weight of 269.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethylphenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 102280273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).