1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea

C10H16F2N2O — CID 126767857

IUPAC1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2N2O/c1-2-7-13-9(15)14-8-3-5-10(11,12)6-4-8/h2,8H,1,3-7H2,(H2,13,14,15)
InChIKeyGGNFNOLCZPZTDR-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.05
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea

1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea (PubChem CID 126767857) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea
PubChem CID126767857
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2N2O/c1-2-7-13-9(15)14-8-3-5-10(11,12)6-4-8/h2,8H,1,3-7H2,(H2,13,14,15)
InChIKeyGGNFNOLCZPZTDR-UHFFFAOYSA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea (CID 126767857) is 1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea is C=CCNC(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea?
The InChIKey is GGNFNOLCZPZTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-2-7-13-9(15)14-8-3-5-10(11,12)6-4-8/h2,8H,1,3-7H2,(H2,13,14,15).
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea?
1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea has a molecular weight of 218.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-prop-2-enylurea is sourced from PubChem (CID 126767857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).