5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid

C10H16F3NO3 — CID 82534858

IUPAC5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid
SMILESO=C(O)CC(CCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)8(7-9(15)16)1-2-14-3-5-17-6-4-14/h8H,1-7H2,(H,15,16)
InChIKeyBPDWGVYSPLAMOY-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.36
Rot. Bonds5

About 5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid

5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid (PubChem CID 82534858) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid
PubChem CID82534858
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid
SMILESO=C(O)CC(CCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)8(7-9(15)16)1-2-14-3-5-17-6-4-14/h8H,1-7H2,(H,15,16)
InChIKeyBPDWGVYSPLAMOY-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid?
The IUPAC name of 5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid (CID 82534858) is 5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for 5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid?
The canonical SMILES for 5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid is O=C(O)CC(CCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid?
The InChIKey is BPDWGVYSPLAMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)8(7-9(15)16)1-2-14-3-5-17-6-4-14/h8H,1-7H2,(H,15,16).
What are the key properties of 5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid?
5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-3-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 82534858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).