CID 59469810

C5H5F3N2 — CID 59469810

IUPAC—
SMILESCN1[C]N(C(F)(F)F)C=C1
InChIInChI=1S/C5H5F3N2/c1-9-2-3-10(4-9)5(6,7)8/h2-3H,1H3
InChIKeyLHRFDYPEAQEUOR-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.22
Rot. Bonds

About CID 59469810

CID 59469810 (PubChem CID 59469810) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol.

Molecular Properties

Compound NameCID 59469810
PubChem CID59469810
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name—
SMILESCN1[C]N(C(F)(F)F)C=C1
InChIInChI=1S/C5H5F3N2/c1-9-2-3-10(4-9)5(6,7)8/h2-3H,1H3
InChIKeyLHRFDYPEAQEUOR-UHFFFAOYSA-N
XLogP1.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-(1,1,2,2-tetrafluoroethyl)imidazole-2-selone
CID 17561166
1-(Difluoromethyl)-3-methyl-1,3-dihydro-2H-imidazole-2-thione
CID 71428231
2-fluoro-1,3-dimethyl-2H-imidazole
CID 17776894
1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
CID 21869090
1-methyl-3-(trifluoromethyl)-2H-imidazole
CID 23140770
1-Ethyl-2-fluoro-3-methyl-2,3-dihydro-1H-imidazole
CID 45087417
2,2-Difluoro-1,3-dimethylimidazole
CID 54543701
1-propyl-3-(trifluoromethyl)-2H-imidazole
CID 66669556
1-ethyl-3-(trifluoromethyl)-2H-imidazole
CID 66669616
1,2-dimethyl-3-(trifluoromethyl)-2H-imidazole
CID 66669632
1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole
CID 66681299
1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
CID 66681333

Frequently Asked Questions

What is the IUPAC name of CID 59469810?
The IUPAC name of CID 59469810 (CID 59469810) is not available.
What is the SMILES notation for CID 59469810?
The canonical SMILES for CID 59469810 is CN1[C]N(C(F)(F)F)C=C1.
What is the InChIKey of CID 59469810?
The InChIKey is LHRFDYPEAQEUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c1-9-2-3-10(4-9)5(6,7)8/h2-3H,1H3.
What are the key properties of CID 59469810?
CID 59469810 has a molecular weight of 150.10 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59469810 is sourced from PubChem (CID 59469810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).