1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea

C14H17F3N2O3 — CID 111437572

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea
SMILESO=C(NCC1(O)CCC1)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)9-22-11-4-2-10(3-5-11)19-12(20)18-8-13(21)6-1-7-13/h2-5,21H,1,6-9H2,(H2,18,19,20)
InChIKeyHIXZRORQTHDFEZ-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.66
Rot. Bonds5

About 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea

1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea (PubChem CID 111437572) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea
PubChem CID111437572
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea
SMILESO=C(NCC1(O)CCC1)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)9-22-11-4-2-10(3-5-11)19-12(20)18-8-13(21)6-1-7-13/h2-5,21H,1,6-9H2,(H2,18,19,20)
InChIKeyHIXZRORQTHDFEZ-UHFFFAOYSA-N
XLogP2.66
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]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-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol
CID 167932975
1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619734
1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea
CID 111112659
1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111104097
2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate
CID 115621942
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111618470
1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111425519
1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
CID 111425504
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111437554
4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122075157
ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 60705257
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 60837802

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea (CID 111437572) is 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea is O=C(NCC1(O)CCC1)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea?
The InChIKey is HIXZRORQTHDFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)9-22-11-4-2-10(3-5-11)19-12(20)18-8-13(21)6-1-7-13/h2-5,21H,1,6-9H2,(H2,18,19,20).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea?
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea has a molecular weight of 318.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea is sourced from PubChem (CID 111437572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).