1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea

C9H14F2N2O — CID 126771483

IUPAC1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea
SMILESO=C(NCC(F)F)NC1C=CCCC1
InChIInChI=1S/C9H14F2N2O/c10-8(11)6-12-9(14)13-7-4-2-1-3-5-7/h2,4,7-8H,1,3,5-6H2,(H2,12,13,14)
InChIKeyBVWQBIJLEDLVJW-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.66
Rot. Bonds3

About 1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea

1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea (PubChem CID 126771483) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea
PubChem CID126771483
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea
SMILESO=C(NCC(F)F)NC1C=CCCC1
InChIInChI=1S/C9H14F2N2O/c10-8(11)6-12-9(14)13-7-4-2-1-3-5-7/h2,4,7-8H,1,3,5-6H2,(H2,12,13,14)
InChIKeyBVWQBIJLEDLVJW-UHFFFAOYSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.66
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-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea (CID 126771483) is 1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea is O=C(NCC(F)F)NC1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea?
The InChIKey is BVWQBIJLEDLVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c10-8(11)6-12-9(14)13-7-4-2-1-3-5-7/h2,4,7-8H,1,3,5-6H2,(H2,12,13,14).
What are the key properties of 1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea?
1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea has a molecular weight of 204.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-3-(2,2-difluoroethyl)urea is sourced from PubChem (CID 126771483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).