3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol

C12H24FNO2 — CID 165498252

IUPAC3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol
SMILESCOCCN(CCF)C1CC(O)CCC1C
InChIInChI=1S/C12H24FNO2/c1-10-3-4-11(15)9-12(10)14(6-5-13)7-8-16-2/h10-12,15H,3-9H2,1-2H3
InChIKeyWBNYVWIHUDLFHI-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.45
Rot. Bonds6

About 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol

3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol (PubChem CID 165498252) has the molecular formula C12H24FNO2 and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol
PubChem CID165498252
Molecular FormulaC12H24FNO2
Molecular Weight233.33 g/mol
Exact Mass233.18
IUPAC Name3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol
SMILESCOCCN(CCF)C1CC(O)CCC1C
InChIInChI=1S/C12H24FNO2/c1-10-3-4-11(15)9-12(10)14(6-5-13)7-8-16-2/h10-12,15H,3-9H2,1-2H3
InChIKeyWBNYVWIHUDLFHI-UHFFFAOYSA-N
XLogP1.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[(2-Methoxyethyl)(propan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490684
3-[(2-Ethoxyethyl)(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490685
3-[Cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490687
3-[Cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490688
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690
3-[Cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490691
3-[Methyl(2-methylbutan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490692
3-[(Propan-2-yl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490693
3-[(3-Methoxypropyl)(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490694
3-[Cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490697

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol?
The IUPAC name of 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol (CID 165498252) is 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol?
The canonical SMILES for 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol is COCCN(CCF)C1CC(O)CCC1C.
What is the InChIKey of 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol?
The InChIKey is WBNYVWIHUDLFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO2/c1-10-3-4-11(15)9-12(10)14(6-5-13)7-8-16-2/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol?
3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol has a molecular weight of 233.33 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoroethyl(2-methoxyethyl)amino]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 165498252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).