1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol

C10H19F2NO2 — CID 106175972

IUPAC1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESOCC(F)(F)CNCC1(O)CCCCC1
InChIInChI=1S/C10H19F2NO2/c11-10(12,8-14)7-13-6-9(15)4-2-1-3-5-9/h13-15H,1-8H2
InChIKeyZUIYDJXQFCGYAJ-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.90
Rot. Bonds5

About 1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol

1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol (PubChem CID 106175972) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol
PubChem CID106175972
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESOCC(F)(F)CNCC1(O)CCCCC1
InChIInChI=1S/C10H19F2NO2/c11-10(12,8-14)7-13-6-9(15)4-2-1-3-5-9/h13-15H,1-8H2
InChIKeyZUIYDJXQFCGYAJ-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol
CID 106146862
1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
CID 115664275
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618
1-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]cyclopentan-1-ol
CID 65210742
1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
CID 106246909
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
3-(cyclohexylmethylamino)-2,2-difluoropropan-1-ol
CID 104857665
1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol
CID 82722622
1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol
CID 79167559
1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol
CID 106254028
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate
CID 79623676
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol (CID 106175972) is 1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol is OCC(F)(F)CNCC1(O)CCCCC1.
What is the InChIKey of 1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ZUIYDJXQFCGYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c11-10(12,8-14)7-13-6-9(15)4-2-1-3-5-9/h13-15H,1-8H2.
What are the key properties of 1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 223.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106175972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).