3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol

C12H15ClFNO2 — CID 103848486

IUPAC3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2c(F)cccc2Cl)CCOC1
InChIInChI=1S/C12H15ClFNO2/c13-10-2-1-3-11(14)9(10)6-15-7-12(16)4-5-17-8-12/h1-3,15-16H,4-8H2
InChIKeyUFIISCPWNVAUQC-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.72
Rot. Bonds4

About 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol

3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol (PubChem CID 103848486) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
PubChem CID103848486
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2c(F)cccc2Cl)CCOC1
InChIInChI=1S/C12H15ClFNO2/c13-10-2-1-3-11(14)9(10)6-15-7-12(16)4-5-17-8-12/h1-3,15-16H,4-8H2
InChIKeyUFIISCPWNVAUQC-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.72
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-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 114143452
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol
CID 65145520
1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129346
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol
CID 112652187
4-[[(2,3,6-trichlorophenyl)methylamino]methyl]oxan-4-ol
CID 78928713
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848090
4-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]oxane-4-carboxamide
CID 120921952
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
4-[[(3-fluoro-2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 112607096

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol (CID 103848486) is 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol is OC1(CNCc2c(F)cccc2Cl)CCOC1.
What is the InChIKey of 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol?
The InChIKey is UFIISCPWNVAUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c13-10-2-1-3-11(14)9(10)6-15-7-12(16)4-5-17-8-12/h1-3,15-16H,4-8H2.
What are the key properties of 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol?
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol has a molecular weight of 259.71 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103848486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).