1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol

C15H16F3NO — CID 162580164

IUPAC1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol
SMILESCCC(O)C1=C(C)N=C(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H16F3NO/c1-3-14(20)12-8-13(19-9(12)2)10-4-6-11(7-5-10)15(16,17)18/h4-7,14,20H,3,8H2,1-2H3
InChIKeyRQCNLHGBTLJJGS-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.94
Rot. Bonds3

About 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol

1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol (PubChem CID 162580164) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol
PubChem CID162580164
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol
SMILESCCC(O)C1=C(C)N=C(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H16F3NO/c1-3-14(20)12-8-13(19-9(12)2)10-4-6-11(7-5-10)15(16,17)18/h4-7,14,20H,3,8H2,1-2H3
InChIKeyRQCNLHGBTLJJGS-UHFFFAOYSA-N
XLogP3.94
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol?
The IUPAC name of 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol (CID 162580164) is 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol?
The canonical SMILES for 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol is CCC(O)C1=C(C)N=C(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol?
The InChIKey is RQCNLHGBTLJJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-3-14(20)12-8-13(19-9(12)2)10-4-6-11(7-5-10)15(16,17)18/h4-7,14,20H,3,8H2,1-2H3.
What are the key properties of 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol?
1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol has a molecular weight of 283.29 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]propan-1-ol is sourced from PubChem (CID 162580164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).