1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea

C8H16FN3O — CID 131065223

IUPAC1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea
SMILESCN1CCC(NC(=O)NCCF)C1
InChIInChI=1S/C8H16FN3O/c1-12-5-2-7(6-12)11-8(13)10-4-3-9/h7H,2-6H2,1H3,(H2,10,11,13)
InChIKeyXPMIIKZMVDFRIM-UHFFFAOYSA-N
MW189.23 g/mol
LogP-0.04
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea

1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea (PubChem CID 131065223) has the molecular formula C8H16FN3O and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea
PubChem CID131065223
Molecular FormulaC8H16FN3O
Molecular Weight189.23 g/mol
Exact Mass189.13
IUPAC Name1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea
SMILESCN1CCC(NC(=O)NCCF)C1
InChIInChI=1S/C8H16FN3O/c1-12-5-2-7(6-12)11-8(13)10-4-3-9/h7H,2-6H2,1H3,(H2,10,11,13)
InChIKeyXPMIIKZMVDFRIM-UHFFFAOYSA-N
XLogP-0.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea
CID 117234415
6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 54950039
1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
4,4-dimethyl-6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 65287791
4-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]ethyl]benzoic acid
CID 61465139
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226
7-[(1-methylpiperidin-3-yl)carbamoylamino]heptanoic acid
CID 61223092
1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea
CID 72561982
1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115611118
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea (CID 131065223) is 1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea is CN1CCC(NC(=O)NCCF)C1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea?
The InChIKey is XPMIIKZMVDFRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3O/c1-12-5-2-7(6-12)11-8(13)10-4-3-9/h7H,2-6H2,1H3,(H2,10,11,13).
What are the key properties of 1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea?
1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea has a molecular weight of 189.23 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea is sourced from PubChem (CID 131065223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).