1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea

C8H15FN2O2 — CID 131038139

IUPAC1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea
SMILESO=C(NCCF)N[C@H]1CCCOC1
InChIInChI=1S/C8H15FN2O2/c9-3-4-10-8(12)11-7-2-1-5-13-6-7/h7H,1-6H2,(H2,10,11,12)/t7-/m0/s1
InChIKeyGCLLBZVAQDHBMT-ZETCQYMHSA-N
MW190.22 g/mol
LogP0.43
Rot. Bonds3

About 1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea

1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea (PubChem CID 131038139) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea
PubChem CID131038139
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea
SMILESO=C(NCCF)N[C@H]1CCCOC1
InChIInChI=1S/C8H15FN2O2/c9-3-4-10-8(12)11-7-2-1-5-13-6-7/h7H,1-6H2,(H2,10,11,12)/t7-/m0/s1
InChIKeyGCLLBZVAQDHBMT-ZETCQYMHSA-N
XLogP0.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea?
The IUPAC name of 1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea (CID 131038139) is 1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea is O=C(NCCF)N[C@H]1CCCOC1.
What is the InChIKey of 1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea?
The InChIKey is GCLLBZVAQDHBMT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15FN2O2/c9-3-4-10-8(12)11-7-2-1-5-13-6-7/h7H,1-6H2,(H2,10,11,12)/t7-/m0/s1.
What are the key properties of 1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea?
1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea has a molecular weight of 190.22 g/mol, XLogP of 0.43, 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-[(3S)-oxan-3-yl]urea is sourced from PubChem (CID 131038139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).