1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole

C6H7F5N2 — CID 173379104

IUPAC1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole
SMILESFC(F)CN1C=NC(C(F)(F)F)C1
InChIInChI=1S/C6H7F5N2/c7-5(8)2-13-1-4(12-3-13)6(9,10)11/h3-5H,1-2H2
InChIKeySKEDGORMQJTUIK-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.53
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole

1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole (PubChem CID 173379104) has the molecular formula C6H7F5N2 and a molecular weight of 202.13 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole
PubChem CID173379104
Molecular FormulaC6H7F5N2
Molecular Weight202.13 g/mol
Exact Mass202.05
IUPAC Name1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole
SMILESFC(F)CN1C=NC(C(F)(F)F)C1
InChIInChI=1S/C6H7F5N2/c7-5(8)2-13-1-4(12-3-13)6(9,10)11/h3-5H,1-2H2
InChIKeySKEDGORMQJTUIK-UHFFFAOYSA-N
XLogP1.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-(2,2-difluoroethyl)pyrrolidine-3,4-diol
CID 124681434
4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole
CID 173379174
3-(2,2-difluoroethyl)-4H-imidazol-5-one
CID 173378889
3-(chloromethyl)-1-(2,2-difluoroethyl)azetidine
CID 130531167
2-(2,2-difluoroethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 130628620
4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole
CID 173378998
3-chloro-1-(2,2-difluoroethyl)pyrrolidine
CID 63387384
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
2-(2,2-difluoroethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 130986086
(4S)-1-(2,2-difluoroethyl)-3-fluoro-4-methylpyrrolidine;ethane
CID 177212700
1-(2,2-difluoroethyl)-3,7-dimethyl-1,5-diazocane
CID 115408499
1-[1-(2,2-difluoroethyl)azetidin-3-yl]-N-methylmethanamine
CID 84651844

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole (CID 173379104) is 1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole is FC(F)CN1C=NC(C(F)(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole?
The InChIKey is SKEDGORMQJTUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5N2/c7-5(8)2-13-1-4(12-3-13)6(9,10)11/h3-5H,1-2H2.
What are the key properties of 1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole?
1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole has a molecular weight of 202.13 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 173379104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).