1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea

C8H15FN2O — CID 130962027

IUPAC1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea
SMILESC[C@@H]1C[C@H]1NC(=O)N[C@@H](C)CF
InChIInChI=1S/C8H15FN2O/c1-5-3-7(5)11-8(12)10-6(2)4-9/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6+,7-/m1/s1
InChIKeyZGEHYEVMRNSUNV-DSYKOEDSSA-N
MW174.22 g/mol
LogP1.05
Rot. Bonds3

About 1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea

1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea (PubChem CID 130962027) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea
PubChem CID130962027
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea
SMILESC[C@@H]1C[C@H]1NC(=O)N[C@@H](C)CF
InChIInChI=1S/C8H15FN2O/c1-5-3-7(5)11-8(12)10-6(2)4-9/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6+,7-/m1/s1
InChIKeyZGEHYEVMRNSUNV-DSYKOEDSSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea?
The IUPAC name of 1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea (CID 130962027) is 1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea.
What is the SMILES notation for 1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea?
The canonical SMILES for 1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea is C[C@@H]1C[C@H]1NC(=O)N[C@@H](C)CF.
What is the InChIKey of 1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea?
The InChIKey is ZGEHYEVMRNSUNV-DSYKOEDSSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-5-3-7(5)11-8(12)10-6(2)4-9/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6+,7-/m1/s1.
What are the key properties of 1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea?
1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea has a molecular weight of 174.22 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-fluoropropan-2-yl]-3-[(1R,2R)-2-methylcyclopropyl]urea is sourced from PubChem (CID 130962027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).