1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea

C11H16F6N2O — CID 17387309

IUPAC1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
SMILESCC(NC(=O)NC1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6N2O/c1-9(10(12,13)14,11(15,16)17)19-8(20)18-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,18,19,20)
InChIKeyDHHPOIVAAJQFAL-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.50
Rot. Bonds2

About 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea

1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea (PubChem CID 17387309) has the molecular formula C11H16F6N2O and a molecular weight of 306.25 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
PubChem CID17387309
Molecular FormulaC11H16F6N2O
Molecular Weight306.25 g/mol
Exact Mass306.12
IUPAC Name1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
SMILESCC(NC(=O)NC1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6N2O/c1-9(10(12,13)14,11(15,16)17)19-8(20)18-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,18,19,20)
InChIKeyDHHPOIVAAJQFAL-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 79792259
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CID 108865906
2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
CID 61266736
1-tert-butyl-3-cyclobutylurea
CID 17217146
1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
CID 115660907
1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
CID 104594557
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 113216151
N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide
CID 3360034
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
CID 110469316
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea (CID 17387309) is 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea is CC(NC(=O)NC1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The InChIKey is DHHPOIVAAJQFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N2O/c1-9(10(12,13)14,11(15,16)17)19-8(20)18-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea has a molecular weight of 306.25 g/mol, XLogP of 3.50, 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-hexafluoro-2-methylpropan-2-yl)urea is sourced from PubChem (CID 17387309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).