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

C9H14F3NO3 — CID 66434481

IUPAC2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CCC(F)(F)F)CCO1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)1-2-13-3-4-16-7(6-13)5-8(14)15/h7H,1-6H2,(H,14,15)
InChIKeySYXNXFXOZFESEM-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.11
Rot. Bonds4

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

2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid (PubChem CID 66434481) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid
PubChem CID66434481
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CCC(F)(F)F)CCO1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)1-2-13-3-4-16-7(6-13)5-8(14)15/h7H,1-6H2,(H,14,15)
InChIKeySYXNXFXOZFESEM-UHFFFAOYSA-N
XLogP1.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium
CID 3081011
2,2-Difluoro-4-(morpholin-4-yl)butanoic acid hydrochloride
CID 167725358
a-Morpholinomethylhexafluoroisobutyric acid
CID 129805206
[(2R)-3-carboxy-2-(2,2,2-trifluoroacetyl)oxypropyl]-trimethylazanium
CID 87776529
[(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium
CID 175393193
Propyl 3-hydroxy-4-morpholin-4-ylbutanoate
CID 135080891
[(2R)-2-acetyloxy-3-carboxypropyl]-trimethylazanium;2,2,2-trifluoroacetic acid
CID 11522589
[(2R)-3-carboxy-2-propanoyloxypropyl]-trimethylazanium;2,2,2-trifluoroacetic acid
CID 11695653
3-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-4-yl]oxypropanoic acid
CID 63903983
3-[1-[2-(Trifluoromethoxy)ethyl]piperidin-4-yl]oxypropanoic acid
CID 65803912
2-[4-(3,3,3-Trifluoropropanoyl)morpholin-2-yl]acetic acid
CID 66421566
2-[4-(4,4,4-Trifluorobutanoyl)morpholin-2-yl]acetic acid
CID 66421961

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid (CID 66434481) is 2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(CCC(F)(F)F)CCO1.
What is the InChIKey of 2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid?
The InChIKey is SYXNXFXOZFESEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)1-2-13-3-4-16-7(6-13)5-8(14)15/h7H,1-6H2,(H,14,15).
What are the key properties of 2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid?
2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid has a molecular weight of 241.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).