(1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium

C9H14F3N2O+ — CID 7221658

IUPAC(1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
SMILESCn1cccc1C[NH2+]C[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-14-4-2-3-7(14)5-13-6-8(15)9(10,11)12/h2-4,8,13,15H,5-6H2,1H3/p+1/t8-/m1/s1
InChIKeyQNQGSZYRUQFAMW-MRVPVSSYSA-O
MW223.22 g/mol
LogP0.01
Rot. Bonds4

About (1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium

(1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium (PubChem CID 7221658) has the molecular formula C9H14F3N2O+ and a molecular weight of 223.22 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
PubChem CID7221658
Molecular FormulaC9H14F3N2O+
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC Name(1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
SMILESCn1cccc1C[NH2+]C[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-14-4-2-3-7(14)5-13-6-8(15)9(10,11)12/h2-4,8,13,15H,5-6H2,1H3/p+1/t8-/m1/s1
InChIKeyQNQGSZYRUQFAMW-MRVPVSSYSA-O
XLogP0.01
TPSA41.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 81135
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CID 66636594
2-Propanol, 1-[(2-pyridinylmethyl)amino]-
CID 111406
[3-(Dimethylamino)propyl][(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1814905
2-{[(Pyridin-2-yl)methyl]amino}butan-1-ol
CID 4712765
((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
2-(2-Methylpyrrol-1-yl)ethanol
CID 3394837
1H-Pyrrole-2-methanamine, 1-methyl-alpha-(trifluoromethyl)-
CID 16641577
2-{[(Pyridin-2-yl)methyl]amino}propan-1-ol
CID 43499555

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
The IUPAC name of (1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium (CID 7221658) is (1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium.
What is the SMILES notation for (1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
The canonical SMILES for (1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium is Cn1cccc1C[NH2+]C[C@@H](O)C(F)(F)F.
What is the InChIKey of (1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
The InChIKey is QNQGSZYRUQFAMW-MRVPVSSYSA-O. The full InChI is InChI=1S/C9H13F3N2O/c1-14-4-2-3-7(14)5-13-6-8(15)9(10,11)12/h2-4,8,13,15H,5-6H2,1H3/p+1/t8-/m1/s1.
What are the key properties of (1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
(1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium has a molecular weight of 223.22 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium is sourced from PubChem (CID 7221658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).