1-(4,4-difluorocyclohexyl)imidazolidin-2-one

C9H14F2N2O — CID 90426751

IUPAC1-(4,4-difluorocyclohexyl)imidazolidin-2-one
SMILESO=C1NCCN1C1CCC(F)(F)CC1
InChIInChI=1S/C9H14F2N2O/c10-9(11)3-1-7(2-4-9)13-6-5-12-8(13)14/h7H,1-6H2,(H,12,14)
InChIKeyHNCHQRBACXNDKF-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.59
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)imidazolidin-2-one

1-(4,4-difluorocyclohexyl)imidazolidin-2-one (PubChem CID 90426751) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)imidazolidin-2-one
PubChem CID90426751
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name1-(4,4-difluorocyclohexyl)imidazolidin-2-one
SMILESO=C1NCCN1C1CCC(F)(F)CC1
InChIInChI=1S/C9H14F2N2O/c10-9(11)3-1-7(2-4-9)13-6-5-12-8(13)14/h7H,1-6H2,(H,12,14)
InChIKeyHNCHQRBACXNDKF-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)imidazolidin-2-one?
The IUPAC name of 1-(4,4-difluorocyclohexyl)imidazolidin-2-one (CID 90426751) is 1-(4,4-difluorocyclohexyl)imidazolidin-2-one.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)imidazolidin-2-one?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)imidazolidin-2-one is O=C1NCCN1C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)imidazolidin-2-one?
The InChIKey is HNCHQRBACXNDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c10-9(11)3-1-7(2-4-9)13-6-5-12-8(13)14/h7H,1-6H2,(H,12,14).
What are the key properties of 1-(4,4-difluorocyclohexyl)imidazolidin-2-one?
1-(4,4-difluorocyclohexyl)imidazolidin-2-one has a molecular weight of 204.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)imidazolidin-2-one is sourced from PubChem (CID 90426751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).