1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea

C16H19F4N3O3 — CID 72837851

IUPAC1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1F)N[C@H]1COC[C@@H]1N1CCOCC1
InChIInChI=1S/C16H19F4N3O3/c17-14-10(16(18,19)20)2-1-3-11(14)21-15(24)22-12-8-26-9-13(12)23-4-6-25-7-5-23/h1-3,12-13H,4-9H2,(H2,21,22,24)/t12-,13-/m0/s1
InChIKeyVCYMJWZGJSKXFT-STQMWFEESA-N
MW377.34 g/mol
LogP2.07
Rot. Bonds3

About 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea

1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea (PubChem CID 72837851) has the molecular formula C16H19F4N3O3 and a molecular weight of 377.34 g/mol. Its IUPAC name is 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea.

Molecular Properties

Compound Name1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea
PubChem CID72837851
Molecular FormulaC16H19F4N3O3
Molecular Weight377.34 g/mol
Exact Mass377.14
IUPAC Name1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1F)N[C@H]1COC[C@@H]1N1CCOCC1
InChIInChI=1S/C16H19F4N3O3/c17-14-10(16(18,19)20)2-1-3-11(14)21-15(24)22-12-8-26-9-13(12)23-4-6-25-7-5-23/h1-3,12-13H,4-9H2,(H2,21,22,24)/t12-,13-/m0/s1
InChIKeyVCYMJWZGJSKXFT-STQMWFEESA-N
XLogP2.07
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea?
The IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea (CID 72837851) is 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea.
What is the SMILES notation for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea?
The canonical SMILES for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea is O=C(Nc1cccc(C(F)(F)F)c1F)N[C@H]1COC[C@@H]1N1CCOCC1.
What is the InChIKey of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea?
The InChIKey is VCYMJWZGJSKXFT-STQMWFEESA-N. The full InChI is InChI=1S/C16H19F4N3O3/c17-14-10(16(18,19)20)2-1-3-11(14)21-15(24)22-12-8-26-9-13(12)23-4-6-25-7-5-23/h1-3,12-13H,4-9H2,(H2,21,22,24)/t12-,13-/m0/s1.
What are the key properties of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea?
1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea has a molecular weight of 377.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]urea is sourced from PubChem (CID 72837851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).