1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea

C10H16F4N2O — CID 106291098

IUPAC1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea
SMILESO=C(NCC(F)(F)C(F)F)NC1CCCCC1
InChIInChI=1S/C10H16F4N2O/c11-8(12)10(13,14)6-15-9(17)16-7-4-2-1-3-5-7/h7-8H,1-6H2,(H2,15,16,17)
InChIKeyHQVRZRMVNKXTET-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.52
Rot. Bonds4

About 1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea

1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea (PubChem CID 106291098) has the molecular formula C10H16F4N2O and a molecular weight of 256.24 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea
PubChem CID106291098
Molecular FormulaC10H16F4N2O
Molecular Weight256.24 g/mol
Exact Mass256.12
IUPAC Name1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea
SMILESO=C(NCC(F)(F)C(F)F)NC1CCCCC1
InChIInChI=1S/C10H16F4N2O/c11-8(12)10(13,14)6-15-9(17)16-7-4-2-1-3-5-7/h7-8H,1-6H2,(H2,15,16,17)
InChIKeyHQVRZRMVNKXTET-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea (CID 106291098) is 1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea is O=C(NCC(F)(F)C(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea?
The InChIKey is HQVRZRMVNKXTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O/c11-8(12)10(13,14)6-15-9(17)16-7-4-2-1-3-5-7/h7-8H,1-6H2,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea?
1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea has a molecular weight of 256.24 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,2,3,3-tetrafluoropropyl)urea is sourced from PubChem (CID 106291098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).