1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea

C14H17F3N2O2 — CID 114631435

IUPAC1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESCC1(C)C(O)CC1NC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c1-13(2)10(7-11(13)20)19-12(21)18-9-6-4-3-5-8(9)14(15,16)17/h3-6,10-11,20H,7H2,1-2H3,(H2,18,19,21)
InChIKeyXQSDTMQYIIMBTK-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.99
Rot. Bonds2

About 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea

1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 114631435) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID114631435
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESCC1(C)C(O)CC1NC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c1-13(2)10(7-11(13)20)19-12(21)18-9-6-4-3-5-8(9)14(15,16)17/h3-6,10-11,20H,7H2,1-2H3,(H2,18,19,21)
InChIKeyXQSDTMQYIIMBTK-UHFFFAOYSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111472755
1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61314248
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 47031918
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 75617082
1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea
CID 114632529
1-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108887719
2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64837457
1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 66004158
4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide
CID 104956518
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 136538286

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea (CID 114631435) is 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea is CC1(C)C(O)CC1NC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is XQSDTMQYIIMBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-13(2)10(7-11(13)20)19-12(21)18-9-6-4-3-5-8(9)14(15,16)17/h3-6,10-11,20H,7H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 302.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 114631435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).