[1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol

C14H18F3NO — CID 174883723

IUPAC[1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol
SMILESCC(C)CN1CC(C(O)c2cc(F)cc(F)c2F)C1
InChIInChI=1S/C14H18F3NO/c1-8(2)5-18-6-9(7-18)14(19)11-3-10(15)4-12(16)13(11)17/h3-4,8-9,14,19H,5-7H2,1-2H3
InChIKeyAVFVPTBVMJUNNS-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.73
Rot. Bonds4

About [1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol

[1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol (PubChem CID 174883723) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is [1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name[1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol
PubChem CID174883723
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name[1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol
SMILESCC(C)CN1CC(C(O)c2cc(F)cc(F)c2F)C1
InChIInChI=1S/C14H18F3NO/c1-8(2)5-18-6-9(7-18)14(19)11-3-10(15)4-12(16)13(11)17/h3-4,8-9,14,19H,5-7H2,1-2H3
InChIKeyAVFVPTBVMJUNNS-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol?
The IUPAC name of [1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol (CID 174883723) is [1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol.
What is the SMILES notation for [1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol?
The canonical SMILES for [1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol is CC(C)CN1CC(C(O)c2cc(F)cc(F)c2F)C1.
What is the InChIKey of [1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol?
The InChIKey is AVFVPTBVMJUNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-8(2)5-18-6-9(7-18)14(19)11-3-10(15)4-12(16)13(11)17/h3-4,8-9,14,19H,5-7H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol?
[1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol has a molecular weight of 273.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol is sourced from PubChem (CID 174883723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).