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

C9H14F4N2O — CID 106291082

IUPAC1-cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea
SMILESO=C(NCC(F)(F)C(F)F)NC1CCCC1
InChIInChI=1S/C9H14F4N2O/c10-7(11)9(12,13)5-14-8(16)15-6-3-1-2-4-6/h6-7H,1-5H2,(H2,14,15,16)
InChIKeyPRMRGIIZOHKANS-UHFFFAOYSA-N
MW242.22 g/mol
LogP2.13
Rot. Bonds4

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

1-cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea (PubChem CID 106291082) has the molecular formula C9H14F4N2O and a molecular weight of 242.22 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea
PubChem CID106291082
Molecular FormulaC9H14F4N2O
Molecular Weight242.22 g/mol
Exact Mass242.10
IUPAC Name1-cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea
SMILESO=C(NCC(F)(F)C(F)F)NC1CCCC1
InChIInChI=1S/C9H14F4N2O/c10-7(11)9(12,13)5-14-8(16)15-6-3-1-2-4-6/h6-7H,1-5H2,(H2,14,15,16)
InChIKeyPRMRGIIZOHKANS-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 52.13
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-cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea?
The IUPAC name of 1-cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea (CID 106291082) is 1-cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea is O=C(NCC(F)(F)C(F)F)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea?
The InChIKey is PRMRGIIZOHKANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O/c10-7(11)9(12,13)5-14-8(16)15-6-3-1-2-4-6/h6-7H,1-5H2,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea?
1-cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea has a molecular weight of 242.22 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea is sourced from PubChem (CID 106291082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).