2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol

C11H18F2N2O — CID 103527704

IUPAC2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol
SMILESCCCn1ccc(CNCC(F)(F)CO)c1
InChIInChI=1S/C11H18F2N2O/c1-2-4-15-5-3-10(7-15)6-14-8-11(12,13)9-16/h3,5,7,14,16H,2,4,6,8-9H2,1H3
InChIKeyAXZZTSQGCFRLDL-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.62
Rot. Bonds7

About 2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol

2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol (PubChem CID 103527704) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol
PubChem CID103527704
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol
SMILESCCCn1ccc(CNCC(F)(F)CO)c1
InChIInChI=1S/C11H18F2N2O/c1-2-4-15-5-3-10(7-15)6-14-8-11(12,13)9-16/h3,5,7,14,16H,2,4,6,8-9H2,1H3
InChIKeyAXZZTSQGCFRLDL-UHFFFAOYSA-N
XLogP1.62
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Resp-3-methyl-1-pyrrolyl)propanol
CID 70163108
(1-propyl-1H-pyrrol-3-yl)methanamine
CID 66410379
[(1-ethyl-1H-pyrrol-3-yl)methyl](methyl)amine hydrochloride
CID 75525886
2-Methyl-1-(1H-pyrrol-1-yl)propan-1-ol
CID 45087800
2,2,3,3,4,4,4-Heptafluoro-1-pyrrol-1-ylbutan-1-ol
CID 21848601
N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine
CID 137430400
1-(2-Methoxyethyl)-3-(trifluoromethyl)pyrrole
CID 154656219
1-(2-Ethoxyethyl)-3-(trifluoromethyl)pyrrole
CID 154656226
ethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine
CID 154656250
N-methyl-2-[3-(trifluoromethyl)pyrrol-1-yl]ethanamine
CID 154656339
[1-(4-Aminobutyl)pyrrol-3-yl]methyl-dimethyl-(2,2,2-trifluoroethyl)azanium
CID 155627875
3,3,3-trifluoro-N-[(1-methylpyrrol-3-yl)methyl]propan-1-amine
CID 66398790

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol (CID 103527704) is 2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol is CCCn1ccc(CNCC(F)(F)CO)c1.
What is the InChIKey of 2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol?
The InChIKey is AXZZTSQGCFRLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-2-4-15-5-3-10(7-15)6-14-8-11(12,13)9-16/h3,5,7,14,16H,2,4,6,8-9H2,1H3.
What are the key properties of 2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol?
2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol has a molecular weight of 232.27 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 103527704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).