[3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol

C13H16F3NO3 — CID 109396406

IUPAC[3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol
SMILESOCC1(CNCc2ccc(OC(F)F)c(F)c2)COC1
InChIInChI=1S/C13H16F3NO3/c14-10-3-9(1-2-11(10)20-12(15)16)4-17-5-13(6-18)7-19-8-13/h1-3,12,17-18H,4-8H2
InChIKeyVWTCKNOXAHMMAN-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.53
Rot. Bonds7

About [3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol

[3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol (PubChem CID 109396406) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is [3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol
PubChem CID109396406
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name[3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol
SMILESOCC1(CNCc2ccc(OC(F)F)c(F)c2)COC1
InChIInChI=1S/C13H16F3NO3/c14-10-3-9(1-2-11(10)20-12(15)16)4-17-5-13(6-18)7-19-8-13/h1-3,12,17-18H,4-8H2
InChIKeyVWTCKNOXAHMMAN-UHFFFAOYSA-N
XLogP1.53
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248969
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957879
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735580
[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579392
[4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol
CID 86814252
[4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol
CID 109396354
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
2-fluoro-4-[[(3-methyloxetan-3-yl)methylamino]methyl]phenol
CID 107685861
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 55260820
[3-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249064

Frequently Asked Questions

What is the IUPAC name of [3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol (CID 109396406) is [3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol is OCC1(CNCc2ccc(OC(F)F)c(F)c2)COC1.
What is the InChIKey of [3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is VWTCKNOXAHMMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c14-10-3-9(1-2-11(10)20-12(15)16)4-17-5-13(6-18)7-19-8-13/h1-3,12,17-18H,4-8H2.
What are the key properties of [3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol?
[3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 291.27 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 109396406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).