CID 58450224

C8H6F3NO — CID 58450224

IUPAC—
SMILES[CH]OC(c1cccnc1)C(F)(F)F
InChIInChI=1S/C8H6F3NO/c1-13-7(8(9,10)11)6-3-2-4-12-5-6/h1-5,7H
InChIKeyMRCFFTGAIAUBHG-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.37
Rot. Bonds2

About CID 58450224

CID 58450224 (PubChem CID 58450224) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol.

Molecular Properties

Compound NameCID 58450224
PubChem CID58450224
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name—
SMILES[CH]OC(c1cccnc1)C(F)(F)F
InChIInChI=1S/C8H6F3NO/c1-13-7(8(9,10)11)6-3-2-4-12-5-6/h1-5,7H
InChIKeyMRCFFTGAIAUBHG-UHFFFAOYSA-N
XLogP2.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine
CID 131036778
[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 95616020
(2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-2-sulfonate
CID 167743029
[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate
CID 95616017
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
2-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinolin-3-amine
CID 67402088
3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)-1,7-naphthyridin-2-amine
CID 150800960
1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol
CID 85357126
(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol
CID 124567765
(1R)-2,2,3,3,3-pentafluoro-1-pyridin-3-ylpropan-1-amine
CID 131371192
amino(pyridin-3-yl)methanethiol
CID 116939546
3-(1,2,2-trifluoroethyl)pyridine
CID 175405303

Frequently Asked Questions

What is the IUPAC name of CID 58450224?
The IUPAC name of CID 58450224 (CID 58450224) is not available.
What is the SMILES notation for CID 58450224?
The canonical SMILES for CID 58450224 is [CH]OC(c1cccnc1)C(F)(F)F.
What is the InChIKey of CID 58450224?
The InChIKey is MRCFFTGAIAUBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c1-13-7(8(9,10)11)6-3-2-4-12-5-6/h1-5,7H.
What are the key properties of CID 58450224?
CID 58450224 has a molecular weight of 189.14 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450224 is sourced from PubChem (CID 58450224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).