[3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol

C14H18F2O2 — CID 116992101

IUPAC[3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol
SMILESCC(C)C(F)(F)c1ccc(C2(CO)COC2)cc1
InChIInChI=1S/C14H18F2O2/c1-10(2)14(15,16)12-5-3-11(4-6-12)13(7-17)8-18-9-13/h3-6,10,17H,7-9H2,1-2H3
InChIKeyIXTDWYZTSVUERO-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.69
Rot. Bonds4

About [3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol

[3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol (PubChem CID 116992101) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is [3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol
PubChem CID116992101
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name[3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol
SMILESCC(C)C(F)(F)c1ccc(C2(CO)COC2)cc1
InChIInChI=1S/C14H18F2O2/c1-10(2)14(15,16)12-5-3-11(4-6-12)13(7-17)8-18-9-13/h3-6,10,17H,7-9H2,1-2H3
InChIKeyIXTDWYZTSVUERO-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]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 [3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol (CID 116992101) is [3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol is CC(C)C(F)(F)c1ccc(C2(CO)COC2)cc1.
What is the InChIKey of [3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol?
The InChIKey is IXTDWYZTSVUERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c1-10(2)14(15,16)12-5-3-11(4-6-12)13(7-17)8-18-9-13/h3-6,10,17H,7-9H2,1-2H3.
What are the key properties of [3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol?
[3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol has a molecular weight of 256.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116992101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).