[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol

C12H21F2NO2 — CID 114225053

IUPAC[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol
SMILESOCC1COCCN1CC1CCCC(F)(F)C1
InChIInChI=1S/C12H21F2NO2/c13-12(14)3-1-2-10(6-12)7-15-4-5-17-9-11(15)8-16/h10-11,16H,1-9H2
InChIKeyRIYGDYVQBBORAH-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.50
Rot. Bonds3

About [4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol

[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol (PubChem CID 114225053) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is [4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol
PubChem CID114225053
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol
SMILESOCC1COCCN1CC1CCCC(F)(F)C1
InChIInChI=1S/C12H21F2NO2/c13-12(14)3-1-2-10(6-12)7-15-4-5-17-9-11(15)8-16/h10-11,16H,1-9H2
InChIKeyRIYGDYVQBBORAH-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-2-yl]methanol
CID 169926782
2-[Cyclohexylmethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol
CID 60302242
[1-[(3,3-Difluorocyclohexyl)methyl]piperidin-2-yl]methanol
CID 114225039
[4-[(3,3-Difluorocyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 114225050
[(2R)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-yl]methanol
CID 166236628
[(3R)-4-(4-propan-2-ylcyclohexyl)morpholin-3-yl]methanol
CID 140709120
[(3S)-4-(4-propan-2-ylcyclohexyl)morpholin-3-yl]methanol
CID 140709151
[4-(4-Methylcyclohexyl)morpholin-3-yl]methanol
CID 83835375
[4-(3,5-Dimethylcyclohexyl)morpholin-3-yl]methanol
CID 116444346
[4-(2-Ethylcyclohexyl)morpholin-3-yl]methanol
CID 116444477
[4-(Cyclohexylmethyl)morpholin-3-yl]methanol
CID 116444508
[4-(3-Ethylcyclohexyl)morpholin-3-yl]methanol
CID 116444817

Frequently Asked Questions

What is the IUPAC name of [4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol?
The IUPAC name of [4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol (CID 114225053) is [4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol.
What is the SMILES notation for [4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol?
The canonical SMILES for [4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol is OCC1COCCN1CC1CCCC(F)(F)C1.
What is the InChIKey of [4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol?
The InChIKey is RIYGDYVQBBORAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c13-12(14)3-1-2-10(6-12)7-15-4-5-17-9-11(15)8-16/h10-11,16H,1-9H2.
What are the key properties of [4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol?
[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]methanol has a molecular weight of 249.30 g/mol, XLogP of 1.50, 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]morpholin-3-yl]methanol is sourced from PubChem (CID 114225053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).