2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol

C10H14F3NO — CID 79097856

IUPAC2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(CC(F)(F)F)c1
InChIInChI=1S/C10H14F3NO/c1-7(2)9(15)8-3-4-14(5-8)6-10(11,12)13/h3-5,7,9,15H,6H2,1-2H3
InChIKeyMTYRTYPRHWMIGZ-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.74
Rot. Bonds3

About 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol

2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol (PubChem CID 79097856) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol
PubChem CID79097856
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(CC(F)(F)F)c1
InChIInChI=1S/C10H14F3NO/c1-7(2)9(15)8-3-4-14(5-8)6-10(11,12)13/h3-5,7,9,15H,6H2,1-2H3
InChIKeyMTYRTYPRHWMIGZ-UHFFFAOYSA-N
XLogP2.74
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol (CID 79097856) is 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol is CC(C)C(O)c1ccn(CC(F)(F)F)c1.
What is the InChIKey of 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol?
The InChIKey is MTYRTYPRHWMIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7(2)9(15)8-3-4-14(5-8)6-10(11,12)13/h3-5,7,9,15H,6H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol?
2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol has a molecular weight of 221.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79097856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).