1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea

C15H25F3N2O2 — CID 111504406

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCC1(CO)CCCC1NC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O2/c1-14(9-21)8-2-3-12(14)20-13(22)19-11-6-4-10(5-7-11)15(16,17)18/h10-12,21H,2-9H2,1H3,(H2,19,20,22)
InChIKeyAAYBXUVIJODQRR-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.96
Rot. Bonds3

About 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 111504406) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID111504406
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCC1(CO)CCCC1NC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O2/c1-14(9-21)8-2-3-12(14)20-13(22)19-11-6-4-10(5-7-11)15(16,17)18/h10-12,21H,2-9H2,1H3,(H2,19,20,22)
InChIKeyAAYBXUVIJODQRR-UHFFFAOYSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111470878
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111503768
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]acetamide
CID 75436732
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 111504256
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea
CID 111508607
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111472755
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 111504669
1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24664741
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylcyclopropyl)urea
CID 111505299
1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide
CID 81178897
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylmethoxyethyl)urea
CID 111619157

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 111504406) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea is CC1(CO)CCCC1NC(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is AAYBXUVIJODQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-14(9-21)8-2-3-12(14)20-13(22)19-11-6-4-10(5-7-11)15(16,17)18/h10-12,21H,2-9H2,1H3,(H2,19,20,22).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 322.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 111504406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).