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

C10H14F3NO4 — CID 66421961

IUPAC2-[4-(4,4,4-trifluorobutanoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCC(F)(F)F)CCO1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)2-1-8(15)14-3-4-18-7(6-14)5-9(16)17/h7H,1-6H2,(H,16,17)
InChIKeyQZNDLVWRLBNNMY-UHFFFAOYSA-N
MW269.22 g/mol
LogP1.03
Rot. Bonds4

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

2-[4-(4,4,4-trifluorobutanoyl)morpholin-2-yl]acetic acid (PubChem CID 66421961) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-[4-(4,4,4-trifluorobutanoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4,4,4-trifluorobutanoyl)morpholin-2-yl]acetic acid
PubChem CID66421961
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name2-[4-(4,4,4-trifluorobutanoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCC(F)(F)F)CCO1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)2-1-8(15)14-3-4-18-7(6-14)5-9(16)17/h7H,1-6H2,(H,16,17)
InChIKeyQZNDLVWRLBNNMY-UHFFFAOYSA-N
XLogP1.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 51.03
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-(3,3,3-Trifluoropropanoyl)morpholin-2-yl]acetic acid
CID 66421566
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-(4,4,4-trifluorobutanoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4,4,4-trifluorobutanoyl)morpholin-2-yl]acetic acid (CID 66421961) is 2-[4-(4,4,4-trifluorobutanoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4,4,4-trifluorobutanoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4,4,4-trifluorobutanoyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)CCC(F)(F)F)CCO1.
What is the InChIKey of 2-[4-(4,4,4-trifluorobutanoyl)morpholin-2-yl]acetic acid?
The InChIKey is QZNDLVWRLBNNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c11-10(12,13)2-1-8(15)14-3-4-18-7(6-14)5-9(16)17/h7H,1-6H2,(H,16,17).
What are the key properties of 2-[4-(4,4,4-trifluorobutanoyl)morpholin-2-yl]acetic acid?
2-[4-(4,4,4-trifluorobutanoyl)morpholin-2-yl]acetic acid has a molecular weight of 269.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,4,4-trifluorobutanoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66421961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).