1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol

C13H12F3NO — CID 155930037

IUPAC1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol
SMILESOC(Cc1ccccc1)(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C13H12F3NO/c14-13(15,16)12(18,11-7-4-8-17-11)9-10-5-2-1-3-6-10/h1-8,17-18H,9H2
InChIKeyJWSWEXZYUSFCNB-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.01
Rot. Bonds3

About 1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol

1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol (PubChem CID 155930037) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol
PubChem CID155930037
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol
SMILESOC(Cc1ccccc1)(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C13H12F3NO/c14-13(15,16)12(18,11-7-4-8-17-11)9-10-5-2-1-3-6-10/h1-8,17-18H,9H2
InChIKeyJWSWEXZYUSFCNB-UHFFFAOYSA-N
XLogP3.01
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol (CID 155930037) is 1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol is OC(Cc1ccccc1)(c1ccc[nH]1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol?
The InChIKey is JWSWEXZYUSFCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c14-13(15,16)12(18,11-7-4-8-17-11)9-10-5-2-1-3-6-10/h1-8,17-18H,9H2.
What are the key properties of 1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol?
1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol has a molecular weight of 255.24 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol is sourced from PubChem (CID 155930037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).