2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol

C12H15F2NO2 — CID 115680075

IUPAC2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
SMILESOc1c(F)cc(CNCC2(O)CCC2)cc1F
InChIInChI=1S/C12H15F2NO2/c13-9-4-8(5-10(14)11(9)16)6-15-7-12(17)2-1-3-12/h4-5,15-17H,1-3,6-7H2
InChIKeyOLQJSLGUEWNHNN-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.67
Rot. Bonds4

About 2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol

2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol (PubChem CID 115680075) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
PubChem CID115680075
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
SMILESOc1c(F)cc(CNCC2(O)CCC2)cc1F
InChIInChI=1S/C12H15F2NO2/c13-9-4-8(5-10(14)11(9)16)6-15-7-12(17)2-1-3-12/h4-5,15-17H,1-3,6-7H2
InChIKeyOLQJSLGUEWNHNN-UHFFFAOYSA-N
XLogP1.67
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 79831783
4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 79832590
2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103753065
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol
CID 79832433
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114623
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 62538939
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 65115940
1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 115282828
2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 112606953
2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115625698

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol (CID 115680075) is 2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol is Oc1c(F)cc(CNCC2(O)CCC2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol?
The InChIKey is OLQJSLGUEWNHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c13-9-4-8(5-10(14)11(9)16)6-15-7-12(17)2-1-3-12/h4-5,15-17H,1-3,6-7H2.
What are the key properties of 2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol?
2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol has a molecular weight of 243.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol is sourced from PubChem (CID 115680075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).