(4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one

C11H13F3N2O — CID 171778848

IUPAC(4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one
SMILESO=C1N[C@@H](C(F)(F)F)CN1CC1=CCCC=C1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-7-16(10(17)15-9)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7H2,(H,15,17)/t9-/m1/s1
InChIKeyFFNKJCOROPFTEX-SECBINFHSA-N
MW246.23 g/mol
LogP2.22
Rot. Bonds2

About (4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one

(4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one (PubChem CID 171778848) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is (4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one
PubChem CID171778848
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name(4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one
SMILESO=C1N[C@@H](C(F)(F)F)CN1CC1=CCCC=C1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-7-16(10(17)15-9)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7H2,(H,15,17)/t9-/m1/s1
InChIKeyFFNKJCOROPFTEX-SECBINFHSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one?
The IUPAC name of (4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one (CID 171778848) is (4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one.
What is the SMILES notation for (4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one?
The canonical SMILES for (4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one is O=C1N[C@@H](C(F)(F)F)CN1CC1=CCCC=C1.
What is the InChIKey of (4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one?
The InChIKey is FFNKJCOROPFTEX-SECBINFHSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)9-7-16(10(17)15-9)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7H2,(H,15,17)/t9-/m1/s1.
What are the key properties of (4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one?
(4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one has a molecular weight of 246.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(cyclohexa-1,5-dien-1-ylmethyl)-4-(trifluoromethyl)imidazolidin-2-one is sourced from PubChem (CID 171778848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).