CID 58450270

C7H7F3N2O — CID 58450270

IUPAC—
SMILES[CH]OC(c1cnn(C)c1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c1-12-4-5(3-11-12)6(13-2)7(8,9)10/h2-4,6H,1H3
InChIKeyLCYPKXMJJKAIEY-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.71
Rot. Bonds2

About CID 58450270

CID 58450270 (PubChem CID 58450270) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol.

Molecular Properties

Compound NameCID 58450270
PubChem CID58450270
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name—
SMILES[CH]OC(c1cnn(C)c1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c1-12-4-5(3-11-12)6(13-2)7(8,9)10/h2-4,6H,1H3
InChIKeyLCYPKXMJJKAIEY-UHFFFAOYSA-N
XLogP1.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol
CID 21825961
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol
CID 54593112
(1R)-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol
CID 33821152
5-(Difluoromethoxy)-4-ethyl-1-methylpyrazole
CID 53720359
1-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 62731639
1-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)pyrazole
CID 68229653
4-(Methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 90162178
4-(Methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 90167617
4-(Ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 90167825
1-(1-Ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole
CID 118148381
1-Ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole
CID 118357733
4-(Ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole
CID 118357737

Frequently Asked Questions

What is the IUPAC name of CID 58450270?
The IUPAC name of CID 58450270 (CID 58450270) is not available.
What is the SMILES notation for CID 58450270?
The canonical SMILES for CID 58450270 is [CH]OC(c1cnn(C)c1)C(F)(F)F.
What is the InChIKey of CID 58450270?
The InChIKey is LCYPKXMJJKAIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-12-4-5(3-11-12)6(13-2)7(8,9)10/h2-4,6H,1H3.
What are the key properties of CID 58450270?
CID 58450270 has a molecular weight of 192.14 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450270 is sourced from PubChem (CID 58450270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).