3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole

C4H4ClF3N2 — CID 88834781

IUPAC3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole
SMILESFC(F)(F)C1NC=CN1Cl
InChIInChI=1S/C4H4ClF3N2/c5-10-2-1-9-3(10)4(6,7)8/h1-3,9H
InChIKeySRWZBPQDPNAVRS-UHFFFAOYSA-N
MW172.54 g/mol
LogP1.40
Rot. Bonds

About 3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole

3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole (PubChem CID 88834781) has the molecular formula C4H4ClF3N2 and a molecular weight of 172.54 g/mol. Its IUPAC name is 3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole
PubChem CID88834781
Molecular FormulaC4H4ClF3N2
Molecular Weight172.54 g/mol
Exact Mass172.00
IUPAC Name3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole
SMILESFC(F)(F)C1NC=CN1Cl
InChIInChI=1S/C4H4ClF3N2/c5-10-2-1-9-3(10)4(6,7)8/h1-3,9H
InChIKeySRWZBPQDPNAVRS-UHFFFAOYSA-N
XLogP1.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.54
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-2,3-dihydro-1H-imidazole
CID 44330973
2-(trifluoromethyl)-2,3-dihydro-1H-imidazole
CID 67982634
3-Methyl-2-(trifluoromethyl)-1,2-dihydroimidazole
CID 89035645
3-(Trifluoromethyl)-1,2-dihydroimidazole
CID 134263082
1-chloro-3-(trifluoromethyl)-2H-imidazole
CID 152386032
2,2-Difluoro-1,3-dihydroimidazole
CID 164596205
3-(2,2,2-Trifluoroethyl)-1,2-dihydroimidazole
CID 174698873
3-(Difluoromethyl)-1,2-dihydroimidazole
CID 175316138
2-(difluoromethyl)-2,3-dihydro-1H-imidazole
CID 162537698
3-Chloro-1,2-dihydroimidazole
CID 140976563

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole?
The IUPAC name of 3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole (CID 88834781) is 3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole?
The canonical SMILES for 3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole is FC(F)(F)C1NC=CN1Cl.
What is the InChIKey of 3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole?
The InChIKey is SRWZBPQDPNAVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClF3N2/c5-10-2-1-9-3(10)4(6,7)8/h1-3,9H.
What are the key properties of 3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole?
3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole has a molecular weight of 172.54 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(trifluoromethyl)-1,2-dihydroimidazole is sourced from PubChem (CID 88834781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).