1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea

C16H28F2N2O2 — CID 136531775

IUPAC1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea
SMILESCC(C)OC1CC(NC(=O)NC2CCC(F)(F)CC2)C1(C)C
InChIInChI=1S/C16H28F2N2O2/c1-10(2)22-13-9-12(15(13,3)4)20-14(21)19-11-5-7-16(17,18)8-6-11/h10-13H,5-9H2,1-4H3,(H2,19,20,21)
InChIKeyNQGNLYPUGGZBTL-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.46
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea

1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea (PubChem CID 136531775) has the molecular formula C16H28F2N2O2 and a molecular weight of 318.41 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea
PubChem CID136531775
Molecular FormulaC16H28F2N2O2
Molecular Weight318.41 g/mol
Exact Mass318.21
IUPAC Name1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea
SMILESCC(C)OC1CC(NC(=O)NC2CCC(F)(F)CC2)C1(C)C
InChIInChI=1S/C16H28F2N2O2/c1-10(2)22-13-9-12(15(13,3)4)20-14(21)19-11-5-7-16(17,18)8-6-11/h10-13H,5-9H2,1-4H3,(H2,19,20,21)
InChIKeyNQGNLYPUGGZBTL-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea (CID 136531775) is 1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea is CC(C)OC1CC(NC(=O)NC2CCC(F)(F)CC2)C1(C)C.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea?
The InChIKey is NQGNLYPUGGZBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O2/c1-10(2)22-13-9-12(15(13,3)4)20-14(21)19-11-5-7-16(17,18)8-6-11/h10-13H,5-9H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea?
1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea has a molecular weight of 318.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea is sourced from PubChem (CID 136531775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).