4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one

C6H9FN2O — CID 84762814

IUPAC4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one
SMILESCC(C)(F)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C6H9FN2O/c1-6(2,7)4-3-8-5(10)9-4/h3H,1-2H3,(H2,8,9,10)
InChIKeySNAPWROXOYFLRB-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.91
Rot. Bonds1

About 4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one

4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one (PubChem CID 84762814) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one
PubChem CID84762814
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one
SMILESCC(C)(F)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C6H9FN2O/c1-6(2,7)4-3-8-5(10)9-4/h3H,1-2H3,(H2,8,9,10)
InChIKeySNAPWROXOYFLRB-UHFFFAOYSA-N
XLogP0.91
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2,3-dihydro-1H-imidazol-2-one
CID 15567528
4-propyl-1H-imidazol-2(3H)-one
CID 15567529
2-(2-Oxo-4-imidazolin-4-yl)ethylamine
CID 150871
1-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-3-methylurea
CID 144829273
1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea
CID 167140552
4-(1,1-Difluoroethyl)-1,3-dihydroimidazol-2-one
CID 84763043
4-ethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one
CID 116013725
4-propan-2-yl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one
CID 116013726
4-tert-butyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one
CID 116013729
4-tert-butyl-1,3-dihydro-2H-imidazol-2-one
CID 17750060
4-Isopropyl-1H-imidazol-2(3H)-one
CID 21858448
3-methyl-5-propan-2-yl-1H-imidazol-2-one
CID 58222525

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one (CID 84762814) is 4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one is CC(C)(F)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one?
The InChIKey is SNAPWROXOYFLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c1-6(2,7)4-3-8-5(10)9-4/h3H,1-2H3,(H2,8,9,10).
What are the key properties of 4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one?
4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one has a molecular weight of 144.15 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 84762814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).