1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea

C15H25F3N2O2 — CID 84590588

IUPAC1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCCC(NC(=O)NC1CCC(C(F)(F)F)CC1)C1CCCO1
InChIInChI=1S/C15H25F3N2O2/c1-2-12(13-4-3-9-22-13)20-14(21)19-11-7-5-10(6-8-11)15(16,17)18/h10-13H,2-9H2,1H3,(H2,19,20,21)
InChIKeyRKYOXLGJVHHWIG-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.36
Rot. Bonds4

About 1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea

1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 84590588) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID84590588
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCCC(NC(=O)NC1CCC(C(F)(F)F)CC1)C1CCCO1
InChIInChI=1S/C15H25F3N2O2/c1-2-12(13-4-3-9-22-13)20-14(21)19-11-7-5-10(6-8-11)15(16,17)18/h10-13H,2-9H2,1H3,(H2,19,20,21)
InChIKeyRKYOXLGJVHHWIG-UHFFFAOYSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 84590588) is 1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea is CCC(NC(=O)NC1CCC(C(F)(F)F)CC1)C1CCCO1.
What is the InChIKey of 1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is RKYOXLGJVHHWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-2-12(13-4-3-9-22-13)20-14(21)19-11-7-5-10(6-8-11)15(16,17)18/h10-13H,2-9H2,1H3,(H2,19,20,21).
What are the key properties of 1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 322.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 84590588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).