[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol

C8H10F3NO — CID 66399128

IUPAC[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(CCC(F)(F)F)c1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)2-4-12-3-1-7(5-12)6-13/h1,3,5,13H,2,4,6H2
InChIKeyIVSJJXJVXFEWOZ-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.93
Rot. Bonds3

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

[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol (PubChem CID 66399128) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is [1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol
PubChem CID66399128
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(CCC(F)(F)F)c1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)2-4-12-3-1-7(5-12)6-13/h1,3,5,13H,2,4,6H2
InChIKeyIVSJJXJVXFEWOZ-UHFFFAOYSA-N
XLogP1.93
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol (CID 66399128) is [1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol is OCc1ccn(CCC(F)(F)F)c1.
What is the InChIKey of [1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol?
The InChIKey is IVSJJXJVXFEWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)2-4-12-3-1-7(5-12)6-13/h1,3,5,13H,2,4,6H2.
What are the key properties of [1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol?
[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol has a molecular weight of 193.17 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3,3-trifluoropropyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 66399128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).