2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride

C9H18ClF2NO — CID 155821423

IUPAC2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride
SMILESCNC1(CCO)CCC(F)(F)CC1.Cl
InChIInChI=1S/C9H17F2NO.ClH/c1-12-8(6-7-13)2-4-9(10,11)5-3-8;/h12-13H,2-7H2,1H3;1H
InChIKeyTYEMMCOYOSTRQL-UHFFFAOYSA-N
MW229.70 g/mol
LogP1.96
Rot. Bonds3

About 2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride

2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride (PubChem CID 155821423) has the molecular formula C9H18ClF2NO and a molecular weight of 229.70 g/mol. Its IUPAC name is 2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride
PubChem CID155821423
Molecular FormulaC9H18ClF2NO
Molecular Weight229.70 g/mol
Exact Mass229.10
IUPAC Name2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride
SMILESCNC1(CCO)CCC(F)(F)CC1.Cl
InChIInChI=1S/C9H17F2NO.ClH/c1-12-8(6-7-13)2-4-9(10,11)5-3-8;/h12-13H,2-7H2,1H3;1H
InChIKeyTYEMMCOYOSTRQL-UHFFFAOYSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.70
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(methylamino)cyclopropyl]ethanol;hydrochloride
CID 146049166
1-(3,3-dimethylbutyl)-N-methylcyclopropan-1-amine
CID 83682072
1-hexyl-N-methylcyclopropan-1-amine
CID 142399349
[3-fluoro-1-(methylamino)cyclobutyl]methanol
CID 91027570
4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 162592331
2-[1-(ethylamino)cyclopentyl]ethanol
CID 64982680
2-[1-(ethylamino)cyclohexyl]ethanol
CID 64989011
1-(2-cyclopentylethyl)-N-methylcyclopropan-1-amine
CID 83682633
ethane;N-methyl-4-propylpiperidin-4-amine
CID 144797680
4-[1-(methylamino)cyclopropyl]butanal
CID 144733002
3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane
CID 178106563
ethane;2-[(1-ethylcyclopropyl)amino]ethanol
CID 177193430

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride?
The IUPAC name of 2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride (CID 155821423) is 2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride?
The canonical SMILES for 2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride is CNC1(CCO)CCC(F)(F)CC1.Cl.
What is the InChIKey of 2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride?
The InChIKey is TYEMMCOYOSTRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO.ClH/c1-12-8(6-7-13)2-4-9(10,11)5-3-8;/h12-13H,2-7H2,1H3;1H.
What are the key properties of 2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride?
2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride has a molecular weight of 229.70 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanol;hydrochloride is sourced from PubChem (CID 155821423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).