1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea

C9H15F3N2O2 — CID 104954569

IUPAC1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-13-8(16)14-6-3-1-2-4-7(6)15/h6-7,15H,1-5H2,(H2,13,14,16)/t6-,7-/m0/s1
InChIKeyQSJINCSBHNIHRV-BQBZGAKWSA-N
MW240.22 g/mol
LogP1.15
Rot. Bonds2

About 1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea

1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 104954569) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID104954569
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-13-8(16)14-6-3-1-2-4-7(6)15/h6-7,15H,1-5H2,(H2,13,14,16)/t6-,7-/m0/s1
InChIKeyQSJINCSBHNIHRV-BQBZGAKWSA-N
XLogP1.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 99777745
1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110933203
2,2,2-trifluoro-N-(2-hydroxycyclohexyl)acetamide
CID 62360896
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 104927390
1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 40538955
1-(2-hydroxycyclohexyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 110933206
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498
3,3,3-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)propanamide
CID 103310253
1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea
CID 111428425
1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 110933278
2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide
CID 40538968

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea (CID 104954569) is 1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is QSJINCSBHNIHRV-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)5-13-8(16)14-6-3-1-2-4-7(6)15/h6-7,15H,1-5H2,(H2,13,14,16)/t6-,7-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 240.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 104954569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).