3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol

C10H16F2N2O — CID 103270586

IUPAC3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCCn1ccc(CNCC(F)(F)CO)c1
InChIInChI=1S/C10H16F2N2O/c1-2-14-4-3-9(6-14)5-13-7-10(11,12)8-15/h3-4,6,13,15H,2,5,7-8H2,1H3
InChIKeyBDQPDJUPLBBDAR-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.23
Rot. Bonds6

About 3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol

3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 103270586) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID103270586
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCCn1ccc(CNCC(F)(F)CO)c1
InChIInChI=1S/C10H16F2N2O/c1-2-14-4-3-9(6-14)5-13-7-10(11,12)8-15/h3-4,6,13,15H,2,5,7-8H2,1H3
InChIKeyBDQPDJUPLBBDAR-UHFFFAOYSA-N
XLogP1.23
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol (CID 103270586) is 3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol is CCn1ccc(CNCC(F)(F)CO)c1.
What is the InChIKey of 3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is BDQPDJUPLBBDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-2-14-4-3-9(6-14)5-13-7-10(11,12)8-15/h3-4,6,13,15H,2,5,7-8H2,1H3.
What are the key properties of 3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol?
3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 218.25 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 103270586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).