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

C9H14F2N2O — CID 104857754

IUPAC2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
SMILESCn1cccc1CNCC(F)(F)CO
InChIInChI=1S/C9H14F2N2O/c1-13-4-2-3-8(13)5-12-6-9(10,11)7-14/h2-4,12,14H,5-7H2,1H3
InChIKeyCYMXIEHXWVEBOO-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.74
Rot. Bonds5

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

2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol (PubChem CID 104857754) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
PubChem CID104857754
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
SMILESCn1cccc1CNCC(F)(F)CO
InChIInChI=1S/C9H14F2N2O/c1-13-4-2-3-8(13)5-12-6-9(10,11)7-14/h2-4,12,14H,5-7H2,1H3
InChIKeyCYMXIEHXWVEBOO-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

methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1096385
Nsc65650
CID 248485
(1-methyl-1H-pyrrol-2-yl)methanamine
CID 2776207
1H-Pyrrole-2-methanamine, N,N,1-trimethyl-
CID 92023
2-(1-methyl-1H-pyrrol-2-yl)ethan-1-ol
CID 11768572
2,5-Dimethyl-1H-pyrrole-1-propanol
CID 12894118
[3-(Dimethylamino)propyl][(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1814905
((1-methyl-1H-pyrrol-2-yl)methyl)(propan-2-yl)amine
CID 10534864
1,1,1-Trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol
CID 2738629
N-[(1-methylpyrrol-2-yl)methyl]pentan-1-amine;hydrochloride
CID 11948789
3-((1-(Pyridin-2-yl)ethyl)amino)propan-1-ol
CID 2772086
2-(2-Methylpyrrol-1-yl)ethanol
CID 3394837

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol (CID 104857754) is 2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol is Cn1cccc1CNCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol?
The InChIKey is CYMXIEHXWVEBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-13-4-2-3-8(13)5-12-6-9(10,11)7-14/h2-4,12,14H,5-7H2,1H3.
What are the key properties of 2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol?
2,2-difluoro-3-[(1-methylpyrrol-2-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-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 104857754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).