[4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol

C13H23F2NO2 — CID 114225050

IUPAC[4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CC1CCCC(F)(F)C1
InChIInChI=1S/C13H23F2NO2/c1-10-9-18-12(8-17)7-16(10)6-11-3-2-4-13(14,15)5-11/h10-12,17H,2-9H2,1H3
InChIKeyNVWFCXOVUAOGFW-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.89
Rot. Bonds3

About [4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol

[4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 114225050) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is [4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID114225050
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name[4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CC1CCCC(F)(F)C1
InChIInChI=1S/C13H23F2NO2/c1-10-9-18-12(8-17)7-16(10)6-11-3-2-4-13(14,15)5-11/h10-12,17H,2-9H2,1H3
InChIKeyNVWFCXOVUAOGFW-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-Methyl-4-[4-(oxan-4-yl)butyl]morpholin-2-yl]methanol
CID 121520832
(2R,3R,4R,5S)-1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidine-3,4,5-triol
CID 155286446
(2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155286447
(2R,3R,4R,5S)-2-methyl-1-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155286481
(2R,3R,4R,5S)-1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol
CID 155286544
(2R,3R,4R,5S)-2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155286565
(2R,3R,4R,5S)-2-methyl-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155302439
(2R,3R,4R,5S)-2-methyl-1-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155302440
2-Methyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155721083
(2R,3R,4R,5S)-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 175208322
1-(Propan-2-yloxy)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 60632553
1-Ethoxy-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 64116375

Frequently Asked Questions

What is the IUPAC name of [4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol (CID 114225050) is [4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1CC1CCCC(F)(F)C1.
What is the InChIKey of [4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is NVWFCXOVUAOGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2/c1-10-9-18-12(8-17)7-16(10)6-11-3-2-4-13(14,15)5-11/h10-12,17H,2-9H2,1H3.
What are the key properties of [4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol?
[4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 263.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,3-difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 114225050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).