1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one

C10H16F2N2O — CID 139389018

IUPAC1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1CC1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2N2O/c11-10(12)3-1-8(2-4-10)7-14-6-5-13-9(14)15/h8H,1-7H2,(H,13,15)
InChIKeyOJFLFOJHJITCJC-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.84
Rot. Bonds2

About 1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one

1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one (PubChem CID 139389018) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one
PubChem CID139389018
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1CC1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2N2O/c11-10(12)3-1-8(2-4-10)7-14-6-5-13-9(14)15/h8H,1-7H2,(H,13,15)
InChIKeyOJFLFOJHJITCJC-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-{2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl}imidazolidin-2-one
CID 56773866
N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
CID 69713225
1-(Cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115575969
2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 116012910
2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 118303133
N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide
CID 123349275
N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 123919640
8,8-Difluoro-1,3-diazaspiro[4.5]decan-2-one
CID 124169396
(2S)-N-(2,2-difluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 124192462
(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 124192542
(3R)-3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 138498544
3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 138498559

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one (CID 139389018) is 1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one is O=C1NCCN1CC1CCC(F)(F)CC1.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one?
The InChIKey is OJFLFOJHJITCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c11-10(12)3-1-8(2-4-10)7-14-6-5-13-9(14)15/h8H,1-7H2,(H,13,15).
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one?
1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one has a molecular weight of 218.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 139389018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).