2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid

C13H21F2NO3 — CID 114224344

IUPAC2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CC2CCCC(F)(F)C2)CCO1
InChIInChI=1S/C13H21F2NO3/c14-13(15)3-1-2-10(7-13)8-16-4-5-19-11(9-16)6-12(17)18/h10-11H,1-9H2,(H,17,18)
InChIKeyOHOYDUDELNMRFH-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.99
Rot. Bonds4

About 2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid

2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid (PubChem CID 114224344) has the molecular formula C13H21F2NO3 and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid
PubChem CID114224344
Molecular FormulaC13H21F2NO3
Molecular Weight277.31 g/mol
Exact Mass277.15
IUPAC Name2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CC2CCCC(F)(F)C2)CCO1
InChIInChI=1S/C13H21F2NO3/c14-13(15)3-1-2-10(7-13)8-16-4-5-19-11(9-16)6-12(17)18/h10-11H,1-9H2,(H,17,18)
InChIKeyOHOYDUDELNMRFH-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid
CID 79558606
2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid
CID 79862286
2-(bromomethyl)-4-(cyclopentylmethyl)morpholine
CID 81212858
2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
CID 66435228
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040
2-amino-4-(3,3-difluorocyclohexyl)butanoic acid
CID 164530886
1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine
CID 114224380
2-(4-cyclohexylmorpholin-2-yl)acetic acid
CID 66433671
2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 86324388
2-(4-but-3-ynylmorpholin-2-yl)acetic acid
CID 66434270
2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
CID 66435629
2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid
CID 62690444

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid (CID 114224344) is 2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(CC2CCCC(F)(F)C2)CCO1.
What is the InChIKey of 2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid?
The InChIKey is OHOYDUDELNMRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO3/c14-13(15)3-1-2-10(7-13)8-16-4-5-19-11(9-16)6-12(17)18/h10-11H,1-9H2,(H,17,18).
What are the key properties of 2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid?
2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid has a molecular weight of 277.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 114224344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).