1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol

C12H10F3NO — CID 63750000

IUPAC1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1cc[nH]c1
InChIInChI=1S/C12H10F3NO/c13-12(14,15)10-3-1-8(2-4-10)11(17)9-5-6-16-7-9/h1-7,11,16-17H
InChIKeyQPQIQHQETZIIIV-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.12
Rot. Bonds2

About 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol

1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 63750000) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID63750000
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1cc[nH]c1
InChIInChI=1S/C12H10F3NO/c13-12(14,15)10-3-1-8(2-4-10)11(17)9-5-6-16-7-9/h1-7,11,16-17H
InChIKeyQPQIQHQETZIIIV-UHFFFAOYSA-N
XLogP3.12
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol (CID 63750000) is 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)c1cc[nH]c1.
What is the InChIKey of 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is QPQIQHQETZIIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-12(14,15)10-3-1-8(2-4-10)11(17)9-5-6-16-7-9/h1-7,11,16-17H.
What are the key properties of 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol?
1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 241.21 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 1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 63750000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).