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

C9H12F3NO4 — CID 66421566

IUPAC2-[4-(3,3,3-trifluoropropanoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CC(F)(F)F)CCO1
InChIInChI=1S/C9H12F3NO4/c10-9(11,12)4-7(14)13-1-2-17-6(5-13)3-8(15)16/h6H,1-5H2,(H,15,16)
InChIKeyAEKBGYGIWQHESG-UHFFFAOYSA-N
MW255.19 g/mol
LogP0.64
Rot. Bonds3

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

2-[4-(3,3,3-trifluoropropanoyl)morpholin-2-yl]acetic acid (PubChem CID 66421566) has the molecular formula C9H12F3NO4 and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-[4-(3,3,3-trifluoropropanoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,3,3-trifluoropropanoyl)morpholin-2-yl]acetic acid
PubChem CID66421566
Molecular FormulaC9H12F3NO4
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name2-[4-(3,3,3-trifluoropropanoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CC(F)(F)F)CCO1
InChIInChI=1S/C9H12F3NO4/c10-9(11,12)4-7(14)13-1-2-17-6(5-13)3-8(15)16/h6H,1-5H2,(H,15,16)
InChIKeyAEKBGYGIWQHESG-UHFFFAOYSA-N
XLogP0.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{4-[(Tert-butoxy)carbonyl]-5-(trifluoromethyl)morpholin-2-yl}acetic acid
CID 165948165
[(2R)-3-carboxy-2-(2,2,2-trifluoroacetyl)oxypropyl]-trimethylazanium
CID 87776529
4-(4,4,4-Trifluorobutanoyl)morpholine-3-carboxylic acid
CID 65712312
2-[4-(4,4,4-Trifluorobutanoyl)morpholin-2-yl]acetic acid
CID 66421961
2-[4-[3-(2,2,2-Trifluoroethoxy)propyl]morpholin-2-yl]acetic acid
CID 66433115
2-[4-(2,2,2-Trifluoroethyl)morpholin-2-yl]acetic acid
CID 66433129
2-[4-(2,2,2-Trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid
CID 66433223
2-[4-(Trifluoroacetyl)morpholin-2-yl]acetic acid
CID 66433403
2-[4-[Methyl(3,3,3-trifluoropropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433547
2-[4-[2-(Trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid
CID 66433686
2-[4-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433718
2-[4-(2,2-Difluoroethyl)morpholin-2-yl]acetic acid
CID 66433888

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3,3-trifluoropropanoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3,3,3-trifluoropropanoyl)morpholin-2-yl]acetic acid (CID 66421566) is 2-[4-(3,3,3-trifluoropropanoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,3,3-trifluoropropanoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3,3,3-trifluoropropanoyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)CC(F)(F)F)CCO1.
What is the InChIKey of 2-[4-(3,3,3-trifluoropropanoyl)morpholin-2-yl]acetic acid?
The InChIKey is AEKBGYGIWQHESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO4/c10-9(11,12)4-7(14)13-1-2-17-6(5-13)3-8(15)16/h6H,1-5H2,(H,15,16).
What are the key properties of 2-[4-(3,3,3-trifluoropropanoyl)morpholin-2-yl]acetic acid?
2-[4-(3,3,3-trifluoropropanoyl)morpholin-2-yl]acetic acid has a molecular weight of 255.19 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3,3-trifluoropropanoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66421566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).