1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol

C11H21F2NO2 — CID 103080616

IUPAC1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCCOCC(F)F)CCCCC1
InChIInChI=1S/C11H21F2NO2/c12-10(13)8-16-7-6-14-9-11(15)4-2-1-3-5-11/h10,14-15H,1-9H2
InChIKeyOKHJQKNAHLAXII-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.55
Rot. Bonds7

About 1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol

1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 103080616) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
PubChem CID103080616
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCCOCC(F)F)CCCCC1
InChIInChI=1S/C11H21F2NO2/c12-10(13)8-16-7-6-14-9-11(15)4-2-1-3-5-11/h10,14-15H,1-9H2
InChIKeyOKHJQKNAHLAXII-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol
CID 106452596
1-[(2-butoxyethylamino)methyl]cyclopentan-1-ol
CID 65108781
1-[(2-methoxyethylamino)methyl]cyclopentan-1-ol
CID 62773566
1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939
1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol
CID 65123306
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea
CID 111426754
5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
CID 65123008
1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 111466689
1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106990051
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65122363
1-[(2-phenoxyethylamino)methyl]cyclopentan-1-ol
CID 65111917

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol (CID 103080616) is 1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol is OC1(CNCCOCC(F)F)CCCCC1.
What is the InChIKey of 1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is OKHJQKNAHLAXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c12-10(13)8-16-7-6-14-9-11(15)4-2-1-3-5-11/h10,14-15H,1-9H2.
What are the key properties of 1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 237.29 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103080616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).