[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol

C7H8F3NO — CID 66398477

IUPAC[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(CC(F)(F)F)c1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)5-11-2-1-6(3-11)4-12/h1-3,12H,4-5H2
InChIKeyVMBHYAIRIWQCSY-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.54
Rot. Bonds2

About [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol

[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol (PubChem CID 66398477) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol
PubChem CID66398477
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(CC(F)(F)F)c1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)5-11-2-1-6(3-11)4-12/h1-3,12H,4-5H2
InChIKeyVMBHYAIRIWQCSY-UHFFFAOYSA-N
XLogP1.54
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol (CID 66398477) is [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol is OCc1ccn(CC(F)(F)F)c1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol?
The InChIKey is VMBHYAIRIWQCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c8-7(9,10)5-11-2-1-6(3-11)4-12/h1-3,12H,4-5H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol?
[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol has a molecular weight of 179.14 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 66398477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).