2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine

C8H7F10NO3 — CID 123970002

IUPAC2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine
SMILESFCN1C(F)(F)COCC1(F)F.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO.C3HF5O2/c6-3-11-4(7,8)1-12-2-5(11,9)10;4-2(5,1(9)10)3(6,7)8/h1-3H2;(H,9,10)
InChIKeyJNFSCGRYBUYJKO-UHFFFAOYSA-N
MW355.13 g/mol
LogP2.70
Rot. Bonds2

About 2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine

2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine (PubChem CID 123970002) has the molecular formula C8H7F10NO3 and a molecular weight of 355.13 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine
PubChem CID123970002
Molecular FormulaC8H7F10NO3
Molecular Weight355.13 g/mol
Exact Mass355.03
IUPAC Name2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine
SMILESFCN1C(F)(F)COCC1(F)F.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO.C3HF5O2/c6-3-11-4(7,8)1-12-2-5(11,9)10;4-2(5,1(9)10)3(6,7)8/h1-3H2;(H,9,10)
InChIKeyJNFSCGRYBUYJKO-UHFFFAOYSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.13
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine?
The IUPAC name of 2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine (CID 123970002) is 2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine?
The canonical SMILES for 2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine is FCN1C(F)(F)COCC1(F)F.O=C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine?
The InChIKey is JNFSCGRYBUYJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO.C3HF5O2/c6-3-11-4(7,8)1-12-2-5(11,9)10;4-2(5,1(9)10)3(6,7)8/h1-3H2;(H,9,10).
What are the key properties of 2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine?
2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine has a molecular weight of 355.13 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropanoic acid;3,3,5,5-tetrafluoro-4-(fluoromethyl)morpholine is sourced from PubChem (CID 123970002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).