1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea

C10H18F2N2O2 — CID 103734260

IUPAC1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea
SMILESO=C(NCC(O)C(F)F)NC1CCCCC1
InChIInChI=1S/C10H18F2N2O2/c11-9(12)8(15)6-13-10(16)14-7-4-2-1-3-5-7/h7-9,15H,1-6H2,(H2,13,14,16)
InChIKeyDFILLAPMNQGXLR-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.24
Rot. Bonds4

About 1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea

1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea (PubChem CID 103734260) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea
PubChem CID103734260
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea
SMILESO=C(NCC(O)C(F)F)NC1CCCCC1
InChIInChI=1S/C10H18F2N2O2/c11-9(12)8(15)6-13-10(16)14-7-4-2-1-3-5-7/h7-9,15H,1-6H2,(H2,13,14,16)
InChIKeyDFILLAPMNQGXLR-UHFFFAOYSA-N
XLogP1.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.24
H-Bond Donors ≤ 53
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-Cyclohexyl-3-[2-(trifluoromethoxy)ethyl]urea
CID 176265525
1-(4-Hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea
CID 47217842
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
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
1-[1-[(2S)-2-hydroxybutyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 97335352
1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 97335353

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea?
The IUPAC name of 1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea (CID 103734260) is 1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea is O=C(NCC(O)C(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea?
The InChIKey is DFILLAPMNQGXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-9(12)8(15)6-13-10(16)14-7-4-2-1-3-5-7/h7-9,15H,1-6H2,(H2,13,14,16).
What are the key properties of 1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea?
1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea has a molecular weight of 236.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3,3-difluoro-2-hydroxypropyl)urea is sourced from PubChem (CID 103734260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).