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

C9H14F2N2O — CID 104857378

IUPAC2,2-difluoro-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
SMILESCn1ccc(CNCC(F)(F)CO)c1
InChIInChI=1S/C9H14F2N2O/c1-13-3-2-8(5-13)4-12-6-9(10,11)7-14/h2-3,5,12,14H,4,6-7H2,1H3
InChIKeyOZOOJTBENBNKJX-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.74
Rot. Bonds5

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

2,2-difluoro-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol (PubChem CID 104857378) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 2,2-difluoro-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
PubChem CID104857378
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name2,2-difluoro-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
SMILESCn1ccc(CNCC(F)(F)CO)c1
InChIInChI=1S/C9H14F2N2O/c1-13-3-2-8(5-13)4-12-6-9(10,11)7-14/h2-3,5,12,14H,4,6-7H2,1H3
InChIKeyOZOOJTBENBNKJX-UHFFFAOYSA-N
XLogP0.74
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Hydroxypropyl)pyrrole
CID 12794991
(1-methyl-1H-pyrrol-3-yl)methanamine
CID 55254375
(1-ethyl-1H-pyrrol-3-yl)methanamine
CID 66407752
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
Acetic acid;1-methyl-3-(trifluoromethyl)pyrrole
CID 142074851
1-(2-Methoxyethyl)-3-(trifluoromethyl)pyrrole
CID 154656219
1-(2-Ethoxyethyl)-3-(trifluoromethyl)pyrrole
CID 154656226

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol (CID 104857378) is 2,2-difluoro-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol is Cn1ccc(CNCC(F)(F)CO)c1.
What is the InChIKey of 2,2-difluoro-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol?
The InChIKey is OZOOJTBENBNKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-13-3-2-8(5-13)4-12-6-9(10,11)7-14/h2-3,5,12,14H,4,6-7H2,1H3.
What are the key properties of 2,2-difluoro-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol?
2,2-difluoro-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol has a molecular weight of 204.22 g/mol, XLogP of 0.74, 5 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-methylpyrrol-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 104857378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).