1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol

C11H16F3NO — CID 79107902

IUPAC1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(CCC(F)(F)F)c1
InChIInChI=1S/C11H16F3NO/c1-2-3-10(16)9-4-6-15(8-9)7-5-11(12,13)14/h4,6,8,10,16H,2-3,5,7H2,1H3
InChIKeyRFYNKFMQXMDRMI-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.27
Rot. Bonds5

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

1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol (PubChem CID 79107902) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol
PubChem CID79107902
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(CCC(F)(F)F)c1
InChIInChI=1S/C11H16F3NO/c1-2-3-10(16)9-4-6-15(8-9)7-5-11(12,13)14/h4,6,8,10,16H,2-3,5,7H2,1H3
InChIKeyRFYNKFMQXMDRMI-UHFFFAOYSA-N
XLogP3.27
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol?
The IUPAC name of 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol (CID 79107902) is 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol?
The canonical SMILES for 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol is CCCC(O)c1ccn(CCC(F)(F)F)c1.
What is the InChIKey of 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol?
The InChIKey is RFYNKFMQXMDRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-2-3-10(16)9-4-6-15(8-9)7-5-11(12,13)14/h4,6,8,10,16H,2-3,5,7H2,1H3.
What are the key properties of 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol?
1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol has a molecular weight of 235.25 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-ol is sourced from PubChem (CID 79107902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).