3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol

C12H15F2NO2 — CID 113338500

IUPAC3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2cc(F)cc(F)c2)CCOC1
InChIInChI=1S/C12H15F2NO2/c13-10-3-9(4-11(14)5-10)6-15-7-12(16)1-2-17-8-12/h3-5,15-16H,1-2,6-8H2
InChIKeySIZFSFPYYBSTNK-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.21
Rot. Bonds4

About 3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol

3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol (PubChem CID 113338500) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
PubChem CID113338500
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2cc(F)cc(F)c2)CCOC1
InChIInChI=1S/C12H15F2NO2/c13-10-3-9(4-11(14)5-10)6-15-7-12(16)1-2-17-8-12/h3-5,15-16H,1-2,6-8H2
InChIKeySIZFSFPYYBSTNK-UHFFFAOYSA-N
XLogP1.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 79832590
3-[[(4-methylsulfanylphenyl)methylamino]methyl]oxolan-3-ol
CID 103848331
3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 113337855
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzene-1,3-diol
CID 113337838
3-[[(7-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]oxolan-3-ol
CID 103848371
3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848427
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol
CID 103848442
3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide
CID 103848289

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol (CID 113338500) is 3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol is OC1(CNCc2cc(F)cc(F)c2)CCOC1.
What is the InChIKey of 3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol?
The InChIKey is SIZFSFPYYBSTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c13-10-3-9(4-11(14)5-10)6-15-7-12(16)1-2-17-8-12/h3-5,15-16H,1-2,6-8H2.
What are the key properties of 3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol?
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol has a molecular weight of 243.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 113338500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).