1-(4-fluorocyclohexyl)-3-methoxyurea

C8H15FN2O2 — CID 130657399

IUPAC1-(4-fluorocyclohexyl)-3-methoxyurea
SMILESCONC(=O)NC1CCC(F)CC1
InChIInChI=1S/C8H15FN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h6-7H,2-5H2,1H3,(H2,10,11,12)
InChIKeyQUERYFFNMBSDDU-UHFFFAOYSA-N
MW190.22 g/mol
LogP1.13
Rot. Bonds2

About 1-(4-fluorocyclohexyl)-3-methoxyurea

1-(4-fluorocyclohexyl)-3-methoxyurea (PubChem CID 130657399) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-(4-fluorocyclohexyl)-3-methoxyurea.

Molecular Properties

Compound Name1-(4-fluorocyclohexyl)-3-methoxyurea
PubChem CID130657399
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name1-(4-fluorocyclohexyl)-3-methoxyurea
SMILESCONC(=O)NC1CCC(F)CC1
InChIInChI=1S/C8H15FN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h6-7H,2-5H2,1H3,(H2,10,11,12)
InChIKeyQUERYFFNMBSDDU-UHFFFAOYSA-N
XLogP1.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-3-(2-fluoroethyl)urea
CID 258705
1-(4,4-Difluorocyclohexyl)-3-methylurea
CID 77059128
1-Cyclohexyl-3-(2,2,2-trifluoroethoxy)urea
CID 112699973
3-[(1R,2R)-2-fluorocyclohexyl]-1,1-dimethylurea
CID 126793971
1-Ethyl-3-(4-fluorocyclohexyl)urea
CID 130626295
1-(3,3-Difluorocyclohexyl)-3-methylurea
CID 130645674
1-(4-Fluorocyclohexyl)-3-methylurea
CID 130670834
1-ethyl-3-[(1R,2R)-2-fluorocyclohexyl]urea
CID 130691207
1-(3-Fluorocyclopentyl)-3-methoxyurea
CID 130725561
1-(2,2-Difluorocyclohexyl)-3-methylurea
CID 130898998
1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea
CID 131207289
1-Cyclohexyl-3-hydroxyurea
CID 269505

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexyl)-3-methoxyurea?
The IUPAC name of 1-(4-fluorocyclohexyl)-3-methoxyurea (CID 130657399) is 1-(4-fluorocyclohexyl)-3-methoxyurea.
What is the SMILES notation for 1-(4-fluorocyclohexyl)-3-methoxyurea?
The canonical SMILES for 1-(4-fluorocyclohexyl)-3-methoxyurea is CONC(=O)NC1CCC(F)CC1.
What is the InChIKey of 1-(4-fluorocyclohexyl)-3-methoxyurea?
The InChIKey is QUERYFFNMBSDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h6-7H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 1-(4-fluorocyclohexyl)-3-methoxyurea?
1-(4-fluorocyclohexyl)-3-methoxyurea has a molecular weight of 190.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexyl)-3-methoxyurea is sourced from PubChem (CID 130657399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).