2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid

C13H20F3NO3 — CID 64757960

IUPAC2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1(N2CCOCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO3/c14-13(15,16)10-1-3-12(4-2-10,9-11(18)19)17-5-7-20-8-6-17/h10H,1-9H2,(H,18,19)
InChIKeyQPACQGGZQIJJBY-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.28
Rot. Bonds3

About 2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid

2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid (PubChem CID 64757960) has the molecular formula C13H20F3NO3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid
PubChem CID64757960
Molecular FormulaC13H20F3NO3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC Name2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1(N2CCOCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO3/c14-13(15,16)10-1-3-12(4-2-10,9-11(18)19)17-5-7-20-8-6-17/h10H,1-9H2,(H,18,19)
InChIKeyQPACQGGZQIJJBY-UHFFFAOYSA-N
XLogP2.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid (CID 64757960) is 2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid is O=C(O)CC1(N2CCOCC2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid?
The InChIKey is QPACQGGZQIJJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3/c14-13(15,16)10-1-3-12(4-2-10,9-11(18)19)17-5-7-20-8-6-17/h10H,1-9H2,(H,18,19).
What are the key properties of 2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid?
2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid has a molecular weight of 295.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 64757960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).