1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea

C10H14F6N2O — CID 790159

IUPAC1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
SMILESO=C(NC1CCCCC1)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O/c11-9(12,13)7(10(14,15)16)18-8(19)17-6-4-2-1-3-5-6/h6-7H,1-5H2,(H2,17,18,19)
InChIKeyGSEWSBMOXBPNPN-UHFFFAOYSA-N
MW292.22 g/mol
LogP3.11
Rot. Bonds2

About 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea

1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea (PubChem CID 790159) has the molecular formula C10H14F6N2O and a molecular weight of 292.22 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
PubChem CID790159
Molecular FormulaC10H14F6N2O
Molecular Weight292.22 g/mol
Exact Mass292.10
IUPAC Name1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
SMILESO=C(NC1CCCCC1)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O/c11-9(12,13)7(10(14,15)16)18-8(19)17-6-4-2-1-3-5-6/h6-7H,1-5H2,(H2,17,18,19)
InChIKeyGSEWSBMOXBPNPN-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea (CID 790159) is 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea is O=C(NC1CCCCC1)NC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea?
The InChIKey is GSEWSBMOXBPNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O/c11-9(12,13)7(10(14,15)16)18-8(19)17-6-4-2-1-3-5-6/h6-7H,1-5H2,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea?
1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea has a molecular weight of 292.22 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea is sourced from PubChem (CID 790159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).