[3-(2,4-difluorophenyl)oxetan-3-yl]methanol

C10H10F2O2 — CID 116829723

IUPAC[3-(2,4-difluorophenyl)oxetan-3-yl]methanol
SMILESOCC1(c2ccc(F)cc2F)COC1
InChIInChI=1S/C10H10F2O2/c11-7-1-2-8(9(12)3-7)10(4-13)5-14-6-10/h1-3,13H,4-6H2
InChIKeySOBLFZVQJZNFAY-UHFFFAOYSA-N
MW200.18 g/mol
LogP1.23
Rot. Bonds2

About [3-(2,4-difluorophenyl)oxetan-3-yl]methanol

[3-(2,4-difluorophenyl)oxetan-3-yl]methanol (PubChem CID 116829723) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is [3-(2,4-difluorophenyl)oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2,4-difluorophenyl)oxetan-3-yl]methanol
PubChem CID116829723
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name[3-(2,4-difluorophenyl)oxetan-3-yl]methanol
SMILESOCC1(c2ccc(F)cc2F)COC1
InChIInChI=1S/C10H10F2O2/c11-7-1-2-8(9(12)3-7)10(4-13)5-14-6-10/h1-3,13H,4-6H2
InChIKeySOBLFZVQJZNFAY-UHFFFAOYSA-N
XLogP1.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,4-difluorophenyl)cyclobutyl]methanol
CID 83686222
1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869258
[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol
CID 116829775
3-amino-3-[3-(2,4-difluorophenyl)oxetan-3-yl]propanoic acid
CID 116874590
[3-(2,5-difluorophenyl)oxetan-3-yl]methanamine
CID 83485213
(2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol
CID 139793678
(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol
CID 10899632
(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
CID 123185465
4-(2,4-difluorophenyl)oxane-4-carboxylic acid
CID 64561177
2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile
CID 116873253
[1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol
CID 131026964
N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine
CID 64999494

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenyl)oxetan-3-yl]methanol?
The IUPAC name of [3-(2,4-difluorophenyl)oxetan-3-yl]methanol (CID 116829723) is [3-(2,4-difluorophenyl)oxetan-3-yl]methanol.
What is the SMILES notation for [3-(2,4-difluorophenyl)oxetan-3-yl]methanol?
The canonical SMILES for [3-(2,4-difluorophenyl)oxetan-3-yl]methanol is OCC1(c2ccc(F)cc2F)COC1.
What is the InChIKey of [3-(2,4-difluorophenyl)oxetan-3-yl]methanol?
The InChIKey is SOBLFZVQJZNFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c11-7-1-2-8(9(12)3-7)10(4-13)5-14-6-10/h1-3,13H,4-6H2.
What are the key properties of [3-(2,4-difluorophenyl)oxetan-3-yl]methanol?
[3-(2,4-difluorophenyl)oxetan-3-yl]methanol has a molecular weight of 200.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-difluorophenyl)oxetan-3-yl]methanol is sourced from PubChem (CID 116829723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).