3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol

C12H14F2O2 — CID 82719452

IUPAC3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)Cc1cc(F)ccc1F
InChIInChI=1S/C12H14F2O2/c1-8-12(15,4-5-16-8)7-9-6-10(13)2-3-11(9)14/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyOTJNLZMFZZQDED-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.05
Rot. Bonds2

About 3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol

3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol (PubChem CID 82719452) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol
PubChem CID82719452
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)Cc1cc(F)ccc1F
InChIInChI=1S/C12H14F2O2/c1-8-12(15,4-5-16-8)7-9-6-10(13)2-3-11(9)14/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyOTJNLZMFZZQDED-UHFFFAOYSA-N
XLogP2.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717852
N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534580
3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 102857011
N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535168
2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol
CID 82719332
1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107268642
3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717323
3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol
CID 82718020
2-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301998
N-[[2-cyclopropyl-3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509713
1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513632
2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301456

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol (CID 82719452) is 3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)Cc1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol?
The InChIKey is OTJNLZMFZZQDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-8-12(15,4-5-16-8)7-9-6-10(13)2-3-11(9)14/h2-3,6,8,15H,4-5,7H2,1H3.
What are the key properties of 3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol?
3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol has a molecular weight of 228.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 82719452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).