1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea

C19H23F3N2O2 — CID 166520281

IUPAC1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea
SMILESCC(Oc1cccc(C2(NC(=O)NC3CC4(CC4)C3)CC2)c1)C(F)(F)F
InChIInChI=1S/C19H23F3N2O2/c1-12(19(20,21)22)26-15-4-2-3-13(9-15)18(7-8-18)24-16(25)23-14-10-17(11-14)5-6-17/h2-4,9,12,14H,5-8,10-11H2,1H3,(H2,23,24,25)
InChIKeyGKHNMOQBHWJXLI-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.25
Rot. Bonds5

About 1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea

1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea (PubChem CID 166520281) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea.

Molecular Properties

Compound Name1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea
PubChem CID166520281
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea
SMILESCC(Oc1cccc(C2(NC(=O)NC3CC4(CC4)C3)CC2)c1)C(F)(F)F
InChIInChI=1S/C19H23F3N2O2/c1-12(19(20,21)22)26-15-4-2-3-13(9-15)18(7-8-18)24-16(25)23-14-10-17(11-14)5-6-17/h2-4,9,12,14H,5-8,10-11H2,1H3,(H2,23,24,25)
InChIKeyGKHNMOQBHWJXLI-UHFFFAOYSA-N
XLogP4.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea?
The IUPAC name of 1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea (CID 166520281) is 1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea.
What is the SMILES notation for 1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea?
The canonical SMILES for 1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea is CC(Oc1cccc(C2(NC(=O)NC3CC4(CC4)C3)CC2)c1)C(F)(F)F.
What is the InChIKey of 1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea?
The InChIKey is GKHNMOQBHWJXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c1-12(19(20,21)22)26-15-4-2-3-13(9-15)18(7-8-18)24-16(25)23-14-10-17(11-14)5-6-17/h2-4,9,12,14H,5-8,10-11H2,1H3,(H2,23,24,25).
What are the key properties of 1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea?
1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea has a molecular weight of 368.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[2.3]hexan-5-yl-3-[1-[3-(1,1,1-trifluoropropan-2-yloxy)phenyl]cyclopropyl]urea is sourced from PubChem (CID 166520281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).