1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea

C14H23F3N2O2 — CID 75381498

IUPAC1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NC1CCC(C(F)(F)F)CC1)NC1(CCO)CCC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-2-4-11(5-3-10)18-12(21)19-13(8-9-20)6-1-7-13/h10-11,20H,1-9H2,(H2,18,19,21)
InChIKeyQJQLUMQLTYDDCT-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.71
Rot. Bonds4

About 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea

1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 75381498) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID75381498
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NC1CCC(C(F)(F)F)CC1)NC1(CCO)CCC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-2-4-11(5-3-10)18-12(21)19-13(8-9-20)6-1-7-13/h10-11,20H,1-9H2,(H2,18,19,21)
InChIKeyQJQLUMQLTYDDCT-UHFFFAOYSA-N
XLogP2.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(hydroxymethyl)cyclohexyl]-3-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]urea
CID 98290085
1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea
CID 164641535
1-(4-Hydroxycyclohexyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 45818331
1-(1-Cyclohexyl-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 72041994
1-[4-(Hydroxymethyl)cyclohexyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea
CID 75522553
1-[(2S)-1-hydroxybutan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 86817460
1-[(1R)-1-cyclohexyl-3-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 95980382
1-[(1S)-1-cyclohexyl-3-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 95980383
1-[4-(hydroxymethyl)cyclohexyl]-3-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]urea
CID 98290084
1-[2-(Hydroxymethyl)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 103716142
1-[(2-Hydroxycyclopentyl)methyl]-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 109397539
1-[(2R)-4-hydroxybutan-2-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 109621453

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 75381498) is 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea is O=C(NC1CCC(C(F)(F)F)CC1)NC1(CCO)CCC1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is QJQLUMQLTYDDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)10-2-4-11(5-3-10)18-12(21)19-13(8-9-20)6-1-7-13/h10-11,20H,1-9H2,(H2,18,19,21).
What are the key properties of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 308.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 75381498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).