4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine

C10H10F9NO — CID 129207767

IUPAC4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine
SMILESC=CC(N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H10F9NO/c1-2-5(8(11,12)13)20-3-6(9(14,15)16)21-7(4-20)10(17,18)19/h2,5-7H,1,3-4H2
InChIKeyRKUVUPRPXWFTJY-UHFFFAOYSA-N
MW331.18 g/mol
LogP3.30
Rot. Bonds2

About 4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine

4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine (PubChem CID 129207767) has the molecular formula C10H10F9NO and a molecular weight of 331.18 g/mol. Its IUPAC name is 4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine
PubChem CID129207767
Molecular FormulaC10H10F9NO
Molecular Weight331.18 g/mol
Exact Mass331.06
IUPAC Name4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine
SMILESC=CC(N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H10F9NO/c1-2-5(8(11,12)13)20-3-6(9(14,15)16)21-7(4-20)10(17,18)19/h2,5-7H,1,3-4H2
InChIKeyRKUVUPRPXWFTJY-UHFFFAOYSA-N
XLogP3.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine (CID 129207767) is 4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine is C=CC(N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is RKUVUPRPXWFTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F9NO/c1-2-5(8(11,12)13)20-3-6(9(14,15)16)21-7(4-20)10(17,18)19/h2,5-7H,1,3-4H2.
What are the key properties of 4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine?
4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 331.18 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluorobut-3-en-2-yl)-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 129207767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).