[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

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Related Compounds

[1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol
CID 116992098
1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid
CID 116992097
1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropane-1-carbonitrile
CID 116992089
3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116871921
3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane
CID 101228583
1-(1,1-difluoro-2-methylpropyl)-4-(1-fluoroethyl)benzene
CID 71203185
[3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol
CID 116829694
[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
CID 168870342
1,1-difluoro-1-phenylpropan-2-ol
CID 23235127
[3-(4-bromophenyl)oxolan-3-yl]methanol
CID 142784119
[3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol
CID 116829727
(E)-3-[4-(1,1-difluoro-2-methylpropyl)phenyl]prop-2-enoic acid
CID 116992074

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).