3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol

C10H15F3N2O — CID 115882730

IUPAC3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOCCCN(Cc1cc[nH]c1)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)8-15(4-1-5-16)7-9-2-3-14-6-9/h2-3,6,14,16H,1,4-5,7-8H2
InChIKeyLCABXYQYKOJIOI-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.76
Rot. Bonds6

About 3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol

3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 115882730) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID115882730
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOCCCN(Cc1cc[nH]c1)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)8-15(4-1-5-16)7-9-2-3-14-6-9/h2-3,6,14,16H,1,4-5,7-8H2
InChIKeyLCABXYQYKOJIOI-UHFFFAOYSA-N
XLogP1.76
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrrol-3-ylmethanamine
CID 23295846
1H-Pyrrole, 3-(trifluoromethyl)-
CID 10464390
3-(Difluoromethyl)-1H-pyrrole
CID 55286956
N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
CID 556802
3-(2-Resp-3-methyl-1-pyrrolyl)propanol
CID 70163108
Pyrrole ethanol
CID 22338742
Pyrrol n-Butanol
CID 129888556
2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385167
2,2-difluoroethyl(1H-pyrrol-3-ylmethyl)carbamic acid
CID 132088667
2,2-difluoroethyl N-(1H-pyrrol-3-ylmethyl)carbamate
CID 132088668
1-(1H-pyrrol-3-ylmethyl)-1,4-diazepane;2,2,2-trifluoroacetic acid
CID 173118557
hydron;3-(trifluoromethyl)-1H-pyrrole
CID 174468353

Frequently Asked Questions

What is the IUPAC name of 3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 115882730) is 3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol is OCCCN(Cc1cc[nH]c1)CC(F)(F)F.
What is the InChIKey of 3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is LCABXYQYKOJIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)8-15(4-1-5-16)7-9-2-3-14-6-9/h2-3,6,14,16H,1,4-5,7-8H2.
What are the key properties of 3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 236.24 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 115882730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).