1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea

C9H15F3N2O — CID 115579831

IUPAC1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC1CCCC1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)6-14-8(15)13-5-7-3-1-2-4-7/h7H,1-6H2,(H2,13,14,15)
InChIKeyUFLRVSKXVXRIIV-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.04
Rot. Bonds3

About 1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea

1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115579831) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115579831
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC1CCCC1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)6-14-8(15)13-5-7-3-1-2-4-7/h7H,1-6H2,(H2,13,14,15)
InChIKeyUFLRVSKXVXRIIV-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea (CID 115579831) is 1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC1CCCC1)NCC(F)(F)F.
What is the InChIKey of 1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is UFLRVSKXVXRIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)6-14-8(15)13-5-7-3-1-2-4-7/h7H,1-6H2,(H2,13,14,15).
What are the key properties of 1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 224.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115579831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).