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

C11H16F3NO — CID 79097945

IUPAC2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(CCC(F)(F)F)c1
InChIInChI=1S/C11H16F3NO/c1-8(2)10(16)9-3-5-15(7-9)6-4-11(12,13)14/h3,5,7-8,10,16H,4,6H2,1-2H3
InChIKeyJWBXCDVMDVLFLD-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.13
Rot. Bonds4

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

2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-ol (PubChem CID 79097945) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-ol
PubChem CID79097945
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(CCC(F)(F)F)c1
InChIInChI=1S/C11H16F3NO/c1-8(2)10(16)9-3-5-15(7-9)6-4-11(12,13)14/h3,5,7-8,10,16H,4,6H2,1-2H3
InChIKeyJWBXCDVMDVLFLD-UHFFFAOYSA-N
XLogP3.13
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.13
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-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-ol (CID 79097945) is 2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-ol is CC(C)C(O)c1ccn(CCC(F)(F)F)c1.
What is the InChIKey of 2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-ol?
The InChIKey is JWBXCDVMDVLFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-8(2)10(16)9-3-5-15(7-9)6-4-11(12,13)14/h3,5,7-8,10,16H,4,6H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-ol?
2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-ol has a molecular weight of 235.25 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79097945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).