1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea

C9H17FN2O — CID 130702964

IUPAC1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea
SMILESCC1CCCC1NC(=O)NCCF
InChIInChI=1S/C9H17FN2O/c1-7-3-2-4-8(7)12-9(13)11-6-5-10/h7-8H,2-6H2,1H3,(H2,11,12,13)
InChIKeyOPONBQFHGIKYEZ-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.44
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea

1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea (PubChem CID 130702964) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea
PubChem CID130702964
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea
SMILESCC1CCCC1NC(=O)NCCF
InChIInChI=1S/C9H17FN2O/c1-7-3-2-4-8(7)12-9(13)11-6-5-10/h7-8H,2-6H2,1H3,(H2,11,12,13)
InChIKeyOPONBQFHGIKYEZ-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea (CID 130702964) is 1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea is CC1CCCC1NC(=O)NCCF.
What is the InChIKey of 1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea?
The InChIKey is OPONBQFHGIKYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-7-3-2-4-8(7)12-9(13)11-6-5-10/h7-8H,2-6H2,1H3,(H2,11,12,13).
What are the key properties of 1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea?
1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea has a molecular weight of 188.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(2-methylcyclopentyl)urea is sourced from PubChem (CID 130702964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).