3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea

C11H20F2N2O2 — CID 107479082

IUPAC3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCCCC1)N(CCO)CC(F)F
InChIInChI=1S/C11H20F2N2O2/c12-10(13)8-15(6-7-16)11(17)14-9-4-2-1-3-5-9/h9-10,16H,1-8H2,(H,14,17)
InChIKeyLBBOHIMMOYXRMY-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.59
Rot. Bonds5

About 3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea

3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea (PubChem CID 107479082) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea
PubChem CID107479082
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCCCC1)N(CCO)CC(F)F
InChIInChI=1S/C11H20F2N2O2/c12-10(13)8-15(6-7-16)11(17)14-9-4-2-1-3-5-9/h9-10,16H,1-8H2,(H,14,17)
InChIKeyLBBOHIMMOYXRMY-UHFFFAOYSA-N
XLogP1.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Cyclohexyl-N'-(2-hydroxyethyl)urea
CID 522238
1-cyclohexyl-3-[(1R)-1-(hydroxymethyl)propyl]urea
CID 51374342
1-(4,4-Difluorocyclohexyl)-3-(2-hydroxyethyl)urea
CID 132970432
1-Ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea
CID 175926185
1-Cyclohexyl-3-[2-(trifluoromethoxy)ethyl]urea
CID 176265525
3-Cyclohexyl-1-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 75443357
1-[1-(2-Hydroxybutyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 75444529
N-cyclohexyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboxamide
CID 75507571
2-[Cyclohexylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258636
N-(2-methoxyethyl)-2-(trifluoromethyl)piperidine-1-carboxamide
CID 92092612
3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea
CID 97257519
3-cyclohexyl-1-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
CID 97257520

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea (CID 107479082) is 3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea is O=C(NC1CCCCC1)N(CCO)CC(F)F.
What is the InChIKey of 3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea?
The InChIKey is LBBOHIMMOYXRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c12-10(13)8-15(6-7-16)11(17)14-9-4-2-1-3-5-9/h9-10,16H,1-8H2,(H,14,17).
What are the key properties of 3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea?
3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea has a molecular weight of 250.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 107479082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).